Geometry & MOs

Info

ID:	369490
PubChem CID:	127334210
Reduced:	ON7C16H21 (1)
Stoich.:	AB7C16D21 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	78.08
Dipole, Da:	9.52
IP(EA), eV:	-9.4(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclohex-3-en-1-yl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC=C1)NC(=O)C2CCN(CC2)C3=NN4C(=NN=N4)C=C3

DOS

IR

Vibrations