Geometry & MOs

Info

ID:	79403
PubChem CID:	49748474
Reduced:	BrFSN3O4H23C26 (1)
Stoich.:	ABCD3E4F23G26 (1)
Weight, g/mol:	498.144713
ΔH_f, kcal/mol:	-140.4
Dipole, Da:	4.19
IP(EA), eV:	-8.76(-0.89)
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-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)Br)N(C1)S(=O)(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations