Geometry & MOs

Info

ID:	158502
PubChem CID:	56464102
Reduced:	ClSO2N5H18C19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	472.156912
ΔH_f, kcal/mol:	-2.21
Dipole, Da:	9.6
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-methylphenyl)-3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)NC(=O)CSC2=NN=CN2C3=CC(=CC=C3)Cl

DOS

IR

Vibrations