Geometry & MOs

Info

ID:	79383
PubChem CID:	49748380
Reduced:	N2S2O4H22C23 (1)
Stoich.:	A2B2C4D22E23 (1)
Weight, g/mol:	388.125692
ΔH_f, kcal/mol:	-72.08
Dipole, Da:	10.78
IP(EA), eV:	-8.36(-0.99)
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]pent-4-enamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3)N(C1)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations