Geometry & MOs

Info

ID:	46699
PubChem CID:	10526388
Reduced:	ClNSeO4H16C18 (1)
Stoich.:	ABCD4E16F18 (1)
Weight, g/mol:	425.129694
ΔH_f, kcal/mol:	-43.04
Dipole, Da:	5.93
IP(EA), eV:	-8.96(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC[Se]/C(=C(\C1=CC=CC=C1)/Cl)/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations