Geometry & MOs

Info

ID:	132461
PubChem CID:	51364726
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	403.099063
ΔH_f, kcal/mol:	-52.43
Dipole, Da:	1.29
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN2C(=O)C=C(N=C2NC3=CC(=CC(=C3)C)C)C

DOS

IR

Vibrations