Geometry & MOs

Info

ID:	157496
PubChem CID:	56431951
Reduced:	N2O4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	441.135842
ΔH_f, kcal/mol:	-93.72
Dipole, Da:	3.34
IP(EA), eV:	-8.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations