Geometry & MOs

Info

ID:	139018
PubChem CID:	52458865
Reduced:	SO2N3C19H31 (1)
Stoich.:	AB2C3D19E31 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-88.15
Dipole, Da:	2.2
IP(EA), eV:	-9.01(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-cyclopropyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC[C@@H](C2=CC=CS2)N(C)C

DOS

IR

Vibrations