Geometry & MOs

Info

ID:	193316
PubChem CID:	78375182
Reduced:	FSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-90.71
Dipole, Da:	2.69
IP(EA), eV:	-8.72(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(diethylamino)ethyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(C(=O)C(=CC(=O)NC3CC3)S2)CC4=CC=C(C=C4)F

DOS

IR

Vibrations