Geometry & MOs

Info

ID:	422638
PubChem CID:	135118175
Reduced:	NSO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	690.337712
ΔH_f, kcal/mol:	-67.32
Dipole, Da:	3.56
IP(EA), eV:	-8.79(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S,9S,15S)-9-benzyl-15-(hydroxymethyl)-13-(3-methylbutyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-19-oxa-4,7,10,13,16-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-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

C1C[C@H]([C@]2(C1)CCCN(C2)C(=O)C3=CSC4=CC=CC=C43)O

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

C1C[C@H]([C@]2(C1)CCCN(C2)C(=O)C3=CSC4=CC=CC=C43)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):