Geometry & MOs

Info

ID:	302679
PubChem CID:	124391973
Reduced:	BrNSO5H6C10 (1)
Stoich.:	ABCD5E6F10 (1)
Weight, g/mol:	380.096141
ΔH_f, kcal/mol:	-144.51
Dipole, Da:	5.87
IP(EA), eV:	-9.61(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

Drug info:

PubChemData

Smile

C1=C(OC(=C1)Br)/C=C/2\C(=O)N(C(=O)S2)CC(=O)O

DOS

IR

Vibrations