Geometry & MOs

Info

ID:	237946
PubChem CID:	92722972
Reduced:	SN2O2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	459.198048
ΔH_f, kcal/mol:	-21.71
Dipole, Da:	3.95
IP(EA), eV:	-8.59(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(1-benzylpiperidin-4-yl)-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C[C@H](C2=CC=CS2)N3CC4=CC=CC=C4C3=O)C

DOS

IR

Vibrations