Geometry & MOs

Info

ID:	70785
PubChem CID:	48413870
Reduced:	ON3C7H7 (2)
Stoich.:	AB3C7D7 (2)
Weight, g/mol:	343.110296
ΔH_f, kcal/mol:	24.87
Dipole, Da:	8.28
IP(EA), eV:	-9.74(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations