Geometry & MOs

Info

ID:	244018
PubChem CID:	99309316
Reduced:	N3O4C24H37 (1)
Stoich.:	A3B4C24D37 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-206.47
Dipole, Da:	5.58
IP(EA), eV:	-8.93(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyanophenyl)methylsulfanyl]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N[C@H](C(C)C)C(=O)NC1CCN(CC1)C(=O)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations