Geometry & MOs

Info

ID:	277251
PubChem CID:	103827491
Reduced:	BrSO2N3C10H14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	304.064841
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	3.62
IP(EA), eV:	-9.52(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-chloro-5-methylphenyl)-4-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Br)CCNC(=O)C(CC(=O)N)N

DOS

IR

Vibrations