Geometry & MOs

Info

ID:	302728
PubChem CID:	124393737
Reduced:	BrN2O4H11C13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	382.075406
ΔH_f, kcal/mol:	-116.34
Dipole, Da:	1.95
IP(EA), eV:	-9.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

COC(=O)CN1C(=O)/C(=C\C2=CC=CC=C2Br)/NC1=O

DOS

IR

Vibrations