Geometry & MOs

Info

ID:	167671
PubChem CID:	74856700
Reduced:	ClSN4O5C18H24 (1)
Stoich.:	ABC4D5E18F24 (1)
Weight, g/mol:	265.124883
ΔH_f, kcal/mol:	-165.78
Dipole, Da:	4.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754601
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(3-phenylpropylsulfanyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C(C=[N+](C1=O)C)S(=O)(=O)NCC(C2=CC=CC=C2Cl)N3CCOCC3

DOS

IR

Vibrations