Geometry & MOs

Info

ID:	60516
PubChem CID:	26697120
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	470.03335
ΔH_f, kcal/mol:	-107.45
Dipole, Da:	5.73
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-ethylphenyl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=C(C=CC(=C2)C)C

DOS

IR

Vibrations