Geometry & MOs

Info

ID:	70943
PubChem CID:	48414074
Reduced:	SO3N4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-64.43
Dipole, Da:	4.18
IP(EA), eV:	-9.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations