Geometry & MOs

Info

ID:	133158
PubChem CID:	51485706
Reduced:	ClN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	371.067723
ΔH_f, kcal/mol:	-96.43
Dipole, Da:	7.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.948950
Charge, e:	-1

Chem-info

IUPAC name:

methylsulfonyl-[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]azanide

Drug info:

PubChemData

Smile

CC[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations