Geometry & MOs

Info

ID:	426081
PubChem CID:	135136368
Reduced:	ClOC21H31 (1)
Stoich.:	ABC21D31 (1)
Weight, g/mol:	521.246061
ΔH_f, kcal/mol:	-87.33
Dipole, Da:	3.6
IP(EA), eV:	-9.28(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyclopropyl-2-propan-2-ylpyrazol-3-yl)-N-[(5-ethylsulfonylpyridin-2-yl)methyl]-4-phenylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)[C@H](CCC1CCCC(C1)(C)C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations