Geometry & MOs

Info

ID:	24516
PubChem CID:	610702
Reduced:	ClFNOSH17C20 (1)
Stoich.:	ABCDEF17G20 (1)
Weight, g/mol:	373.070341
ΔH_f, kcal/mol:	-50.06
Dipole, Da:	2.3
IP(EA), eV:	-8.79(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-6-methyl-1-benzothiophen-2-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC2=C(N1C(=O)C3=C(C4=C(S3)C=C(C=C4)C)Cl)C=CC(=C2)F

DOS

IR

Vibrations