Geometry & MOs

Info

ID:	244967
PubChem CID:	99431699
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	434.198777
ΔH_f, kcal/mol:	-138.94
Dipole, Da:	3.81
IP(EA), eV:	-8.52(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-[[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]carbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NCC(=O)N1CCC[C@H](C1)CNC(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations