Geometry & MOs

Info

ID:	147669
PubChem CID:	53787326
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	438.040083
ΔH_f, kcal/mol:	-67.35
Dipole, Da:	4.0
IP(EA), eV:	-8.07(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-6-nitro-4-oxo-2-(2-propoxyphenyl)quinazoline-3-sulfonamide

Drug info:

PubChemData

Smile

CCCCC(=NC(=O)NC1=CC=C(C=C1)OC)N

DOS

IR

Vibrations