Geometry & MOs

Info

ID:	67707
PubChem CID:	46507011
Reduced:	SO2N3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	465.151098
ΔH_f, kcal/mol:	4.13
Dipole, Da:	6.43
IP(EA), eV:	-8.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C(=O)C3=C(C(=CN3)C4=CC=CC=C4)NC2=S

DOS

IR

Vibrations