Geometry & MOs

Info

ID:	155423
PubChem CID:	56355081
Reduced:	SN3O4H19C23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	449.122084
ΔH_f, kcal/mol:	-49.86
Dipole, Da:	8.66
IP(EA), eV:	-9.05(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C2=CC=CC=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations