Geometry & MOs

Info

ID:	43234
PubChem CID:	10320024
Reduced:	OSN3C25H31 (1)
Stoich.:	ABC3D25E31 (1)
Weight, g/mol:	421.102704
ΔH_f, kcal/mol:	19.63
Dipole, Da:	3.35
IP(EA), eV:	-8.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-amino-4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC2=C(CCCC2CCCN3CCN(CC3)C4=NSC5=CC=CC=C54)C=C1

DOS

IR

Vibrations