Geometry & MOs

Info

ID:	68172
PubChem CID:	46507898
Reduced:	BrFOSN3H21C25 (1)
Stoich.:	ABCDE3F21G25 (1)
Weight, g/mol:	521.07726
ΔH_f, kcal/mol:	3.24
Dipole, Da:	5.73
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-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=C(C=C3)F)SCC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations