Geometry & MOs

Info

ID:	155302
PubChem CID:	56352888
Reduced:	FN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	421.041853
ΔH_f, kcal/mol:	-125.01
Dipole, Da:	4.92
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC(=C(C=C3)N(C)C)F

DOS

IR

Vibrations