Geometry & MOs

Info

ID:	277252
PubChem CID:	103827494
Reduced:	ClSN2O3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	351.98925
ΔH_f, kcal/mol:	-129.67
Dipole, Da:	5.69
IP(EA), eV:	-8.87(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-bromo-5-fluorophenyl)-4-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NC(=O)C(CCS(=O)(=O)C)N

DOS

IR

Vibrations