Geometry & MOs

Info

ID:	166192
PubChem CID:	74649284
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	458.124647
ΔH_f, kcal/mol:	-3.83
Dipole, Da:	2.2
IP(EA), eV:	-8.85(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC1=NOC(=C1)C)SC2=NC3=CC=CC=C3N2CC

DOS

IR

Vibrations