Geometry & MOs

Info

ID:	193263
PubChem CID:	78366584
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-8.24
Dipole, Da:	2.5
IP(EA), eV:	-8.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2NN=C(N2C3CCCCC3C1=O)SCC4=CC=CC=C4C

DOS

IR

Vibrations