Geometry & MOs

Info

ID:	156364
PubChem CID:	56370289
Reduced:	ClSN4O4H21C22 (1)
Stoich.:	ABC4D4E21F22 (1)
Weight, g/mol:	400.99081
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	6.21
IP(EA), eV:	-9.18(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=CC(=C(C=C3)N4C=CN=C4)Cl

DOS

IR

Vibrations