Geometry & MOs

Info

ID:	414699
PubChem CID:	135087658
Reduced:	O5N6C31H42 (1)
Stoich.:	A5B6C31D42 (1)
Weight, g/mol:	620.295848
ΔH_f, kcal/mol:	-219.99
Dipole, Da:	7.79
IP(EA), eV:	-8.59(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,10S,13S,16S,19S,23S)-16-benzyl-23-hydroxy-12,13-dimethyl-3-(pyridine-2-carbonyl)-22-oxa-3,6,12,15,18-pentazatricyclo[17.3.1.06,10]tricosane-5,11,14,17-tetrone

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)[C@H]5CCC(=O)N5)C(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)[C@H]5CCC(=O)N5)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):