Geometry & MOs

Info

ID:	13750
PubChem CID:	397507
Reduced:	ClOSN2C15H19 (1)
Stoich.:	ABCD2E15F19 (1)
Weight, g/mol:	310.090662
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	3.77
IP(EA), eV:	-8.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-6-methyl-3-propyl-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCCN1C(=O)CC(N(C1=S)CC2=CC=CC=C2Cl)C

DOS

IR

Vibrations