Geometry & MOs

Info

ID:	177994
PubChem CID:	76261421
Reduced:	S2O3N6C17H18 (1)
Stoich.:	A2B3C6D17E18 (1)
Weight, g/mol:	476.125133
ΔH_f, kcal/mol:	-48.92
Dipole, Da:	7.16
IP(EA), eV:	-8.5(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-chloro-4-oxo-4aH-quinazolin-2-yl)methyl]-5-[(2-cyanophenoxy)methyl]-N-propylfuran-2-carboxamide

Drug info:

PubChemData

Smile

C1C(CNC2C1C(=O)NC(=O)N2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

DOS

IR

Vibrations