Geometry & MOs

Info

ID:	192436
PubChem CID:	78268917
Reduced:	SO3N4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-83.81
Dipole, Da:	3.37
IP(EA), eV:	-8.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[(4-oxo-6-propyl-1,3-diazinan-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C(C(C(=O)N(C1=O)C)C(=O)CSC2=CC=CC=N2)N

DOS

IR

Vibrations