Geometry & MOs

Info

ID:	195118
PubChem CID:	78637057
Reduced:	N2O5C18H18 (1)
Stoich.:	A2B5C18D18 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	-152.85
Dipole, Da:	4.23
IP(EA), eV:	-9.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=N2

DOS

IR

Vibrations