Geometry & MOs

Info

ID:	141495
PubChem CID:	52883626
Reduced:	N2S2O8C19H22 (1)
Stoich.:	A2B2C8D19E22 (1)
Weight, g/mol:	394.042392
ΔH_f, kcal/mol:	-263.71
Dipole, Da:	6.94
IP(EA), eV:	-9.25(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfonyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C=O)C(=O)OC

DOS

IR

Vibrations