Geometry & MOs

Info

ID:	158158
PubChem CID:	56463076
Reduced:	ClSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	489.183461
ΔH_f, kcal/mol:	-130.85
Dipole, Da:	6.81
IP(EA), eV:	-8.96(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2CC3=C(C=CC(=C3)Cl)OC2

DOS

IR

Vibrations