Geometry & MOs

Info

ID:	65424
PubChem CID:	29214928
Reduced:	SN2O2C11H13 (2)
Stoich.:	AB2C2D11E13 (2)
Weight, g/mol:	465.237604
ΔH_f, kcal/mol:	-78.1
Dipole, Da:	5.57
IP(EA), eV:	-8.6(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-imidazol-1-ylpropyl)-9-methoxy-3-[(4-methoxyphenyl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)C1=CC=CC=C1SCC(=O)NC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations