Geometry & MOs

Info

ID:	134223
PubChem CID:	51664231
Reduced:	BrSO3N8H13C15 (1)
Stoich.:	ABC3D8E13F15 (1)
Weight, g/mol:	372.075548
ΔH_f, kcal/mol:	54.98
Dipole, Da:	1.23
IP(EA), eV:	-8.89(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(benzenesulfonamido)-N-[3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N/NC(=O)CC2=NN=C(S2)NC(=O)C3=NC=NN3)Br

DOS

IR

Vibrations