Geometry & MOs

Info

ID:	79413
PubChem CID:	49748505
Reduced:	FN2S2O4C26H29 (1)
Stoich.:	AB2C2D4E26F29 (1)
Weight, g/mol:	529.94396
ΔH_f, kcal/mol:	-176.41
Dipole, Da:	5.88
IP(EA), eV:	-8.31(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC2=CC3=C(CCCN3S(=O)(=O)C4=CC=C(C=C4)F)C=C2)C)C

DOS

IR

Vibrations