Geometry & MOs

Info

ID:	47062
PubChem CID:	10529248
Reduced:	NO8C27H29 (1)
Stoich.:	AB8C27D29 (1)
Weight, g/mol:	495.252192
ΔH_f, kcal/mol:	-201.34
Dipole, Da:	4.25
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-2,4-dioxo-5-phenyl-3-prop-2-enyl-1,5-benzodiazepin-1-yl)-N-phenyl-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2OCC(COC3=CC=CC=C3OCCO1)(C4=CC=CC=C4)OCC(=O)NO

DOS

IR

Vibrations