Geometry & MOs

Info

ID:	68171
PubChem CID:	46507896
Reduced:	FOSN4C20H25 (1)
Stoich.:	ABCD4E20F25 (1)
Weight, g/mol:	509.05727
ΔH_f, kcal/mol:	-39.91
Dipole, Da:	7.24
IP(EA), eV:	-8.37(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1CCN(CC1)C2=NN=C(C=C2)SC3=CC=CC(=C3)F

DOS

IR

Vibrations