Geometry & MOs

Info

ID:	44620
PubChem CID:	10504474
Reduced:	O7C27H32 (1)
Stoich.:	A7B27C32 (1)
Weight, g/mol:	467.99657
ΔH_f, kcal/mol:	-216.33
Dipole, Da:	5.06
IP(EA), eV:	-8.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-7-(4-methoxyphenyl)sulfanyl-1,3-dihydro-1,5-benzodiazepine-2-thione

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=C2C(=C1OC)C(=O)OC3=C(C(=C(C=C3O2)OC)OC)CC=C(C)C)OC)C

DOS

IR

Vibrations