Geometry & MOs

Info

ID:	175337
PubChem CID:	75884602
Reduced:	OSN2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	455.112662
ΔH_f, kcal/mol:	-26.96
Dipole, Da:	7.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.195571
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-5-(trifluoromethyl)pyridin-3-ylidene]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(C[NH+](C1)CCCNC(=O)C2=CC3=CC=CC=C3S2)C

DOS

IR

Vibrations