Geometry & MOs

Info

ID:	159590
PubChem CID:	57288499
Reduced:	ClSC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	455.220892
ΔH_f, kcal/mol:	-8.17
Dipole, Da:	3.03
IP(EA), eV:	-8.92(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-8-[2-[4-(aminomethyl)phenyl]ethenyl]-3-oxo-4-(2-phenylethyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1Cl)S

DOS

IR

Vibrations