Geometry & MOs

Info

ID:	135415
PubChem CID:	51868872
Reduced:	SN3O3C21H31 (1)
Stoich.:	AB3C3D21E31 (1)
Weight, g/mol:	464.204159
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	4.09
IP(EA), eV:	-9.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[(1R)-1-phenyl-2-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@@H](C)SCC(=O)NCCC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations