Geometry & MOs

Info

ID:	363669
PubChem CID:	127312375
Reduced:	NSO2C14H23 (1)
Stoich.:	ABC2D14E23 (1)
Weight, g/mol:	297.099892
ΔH_f, kcal/mol:	-111.38
Dipole, Da:	3.57
IP(EA), eV:	-8.4(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(thian-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(CCO2)C(=O)C3CCSCC3

DOS

IR

Vibrations