Geometry & MOs

Info

ID:	145379
PubChem CID:	53513196
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	379.021597
ΔH_f, kcal/mol:	-6.51
Dipole, Da:	1.5
IP(EA), eV:	-9.66(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)OCC2=NC(=NO2)C3=CN=CC=C3

DOS

IR

Vibrations