Geometry & MOs

Info

ID:	131885
PubChem CID:	51274527
Reduced:	OSN2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-3.74
Dipole, Da:	5.33
IP(EA), eV:	-8.97(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxypropyl)-4-oxo-N-(2-pyridin-2-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)CCCC2=CC=CS2

DOS

IR

Vibrations