Geometry & MOs

Info

ID:	194194
PubChem CID:	78497031
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-80.01
Dipole, Da:	4.28
IP(EA), eV:	-9.04(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)SCC(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations