Geometry & MOs

Info

ID:	141995
PubChem CID:	52964964
Reduced:	SN4C7H12 (1)
Stoich.:	AB4C7D12 (1)
Weight, g/mol:	343.099063
ΔH_f, kcal/mol:	71.96
Dipole, Da:	5.11
IP(EA), eV:	-8.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-(3-ethyl-2-oxo-4aH-quinazolin-4-ylidene)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)N3C(=NNN3)S2

DOS

IR

Vibrations