Geometry & MOs

Info

ID:	41516
PubChem CID:	8146060
Reduced:	O2S2N4C19H26 (1)
Stoich.:	A2B2C4D19E26 (1)
Weight, g/mol:	338.009218
ΔH_f, kcal/mol:	-30.68
Dipole, Da:	5.37
IP(EA), eV:	-8.26(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[(2,5-difluorophenyl)sulfanylmethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CN2C(=S)SC(=N2)NC3=CC(=C(C=C3)C)C

DOS

IR

Vibrations