Geometry & MOs

Info

ID:	135351
PubChem CID:	51857828
Reduced:	SN3O3C25H36 (1)
Stoich.:	AB3C3D25E36 (1)
Weight, g/mol:	394.1021
ΔH_f, kcal/mol:	-93.88
Dipole, Da:	6.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.011473
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC3=C(CCCC3)C=C2

DOS

IR

Vibrations