Geometry & MOs

Info

ID:	31455
PubChem CID:	855741
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	349.088498
ΔH_f, kcal/mol:	-59.05
Dipole, Da:	3.82
IP(EA), eV:	-8.81(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-ylmethyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC=CC=C3)C(=O)C)C

DOS

IR

Vibrations