Geometry & MOs

Info

ID:	417496
PubChem CID:	135095557
Reduced:	N7O7C33H47 (1)
Stoich.:	A7B7C33D47 (1)
Weight, g/mol:	550.279135
ΔH_f, kcal/mol:	-280.15
Dipole, Da:	4.25
IP(EA), eV:	-9.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(1R,17R,18S)-5-methoxy-14-oxo-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-triene-12-carbonyl]phenoxy]acetamide

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

CC1=C(C(=NN1CC(=O)N[C@H]2CC3=CC=C(C=C3)OCC(=O)NCCN(C(=O)[C@@H](NC(=O)CCCNC2=O)CC(C)C)C)C)C(=O)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

CC1=C(C(=NN1CC(=O)N[C@H]2CC3=CC=C(C=C3)OCC(=O)NCCN(C(=O)[C@@H](NC(=O)CCCNC2=O)CC(C)C)C)C)C(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):