Geometry & MOs

Info

ID:	244048
PubChem CID:	99309522
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	412.182064
ΔH_f, kcal/mol:	-111.32
Dipole, Da:	4.08
IP(EA), eV:	-9.0(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations