Geometry & MOs

Info

ID:	245111
PubChem CID:	99437510
Reduced:	SN4O4C26H30 (1)
Stoich.:	AB4C4D26E30 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-108.24
Dipole, Da:	4.07
IP(EA), eV:	-8.81(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)CN2CCC[C@@H](C2)C(=O)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations