Geometry & MOs

Info

ID:	158827
PubChem CID:	56479467
Reduced:	SN3O5C22H23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	460.047539
ΔH_f, kcal/mol:	-119.91
Dipole, Da:	10.99
IP(EA), eV:	-9.11(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NCC4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations