Geometry & MOs

Info

ID:	194197
PubChem CID:	78497034
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	5.47
IP(EA), eV:	-9.12(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)SCC(=O)NCCC2=CC=CC=C2

DOS

IR

Vibrations