Geometry & MOs

Info

ID:	142887
PubChem CID:	53109449
Reduced:	OSN3H27C28 (1)
Stoich.:	ABC3D27E28 (1)
Weight, g/mol:	491.143426
ΔH_f, kcal/mol:	38.37
Dipole, Da:	3.87
IP(EA), eV:	-8.57(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[[2-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N=C(CC(=N2)C3=CC=CC=C3)SCC(=O)NC4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations