Geometry & MOs

Info

ID:	79404
PubChem CID:	49748475
Reduced:	FN2S2O3C26H27 (1)
Stoich.:	AB2C2D3E26F27 (1)
Weight, g/mol:	456.097763
ΔH_f, kcal/mol:	-118.72
Dipole, Da:	5.3
IP(EA), eV:	-8.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=CS2)C(=O)NC3=CC4=C(CCCN4S(=O)(=O)C5=CC=C(C=C5)F)C=C3

DOS

IR

Vibrations