Geometry & MOs

Info

ID:	364324
PubChem CID:	127315423
Reduced:	O4N5C18H21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	377.152161
ΔH_f, kcal/mol:	-84.27
Dipole, Da:	0.94
IP(EA), eV:	-9.15(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-methylphenyl)sulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=CN1C)NC(=O)C2CCCN2C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations