Geometry & MOs

Info

ID:	245130
PubChem CID:	99437683
Reduced:	F2N2S2O5H16C17 (1)
Stoich.:	A2B2C2D5E16F17 (1)
Weight, g/mol:	430.04687
ΔH_f, kcal/mol:	-246.05
Dipole, Da:	1.84
IP(EA), eV:	-9.22(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(difluoromethylsulfonyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F)C(=O)N

DOS

IR

Vibrations