Geometry & MOs

Info

ID:	382859
PubChem CID:	134974255
Reduced:	ClOSH2N5C7 (1)
Stoich.:	ABCD2E5F7 (1)
Weight, g/mol:	303.115381
ΔH_f, kcal/mol:	98.79
Dipole, Da:	5.73
IP(EA), eV:	-9.36(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-2-sulfanylidene-1,3,5-triazinan-1-yl)-2-methylquinazolin-4-one

Drug info:

PubChemData

Smile

C1=CN=C2C(=N1)C(=C(S2)C(=O)Cl)N=[N+]=[N-]

DOS

IR

Vibrations