Geometry & MOs

Info

ID:	302526
PubChem CID:	124365814
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	443.224263
ΔH_f, kcal/mol:	-6.17
Dipole, Da:	4.59
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2CCC[C@@H](C2)[C@H](C3=CC=CC=N3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations