Geometry & MOs

Info

ID:	79391
PubChem CID:	49748423
Reduced:	FSN4O5H21C22 (1)
Stoich.:	ABC4D5E21F22 (1)
Weight, g/mol:	476.13184
ΔH_f, kcal/mol:	-206.19
Dipole, Da:	3.93
IP(EA), eV:	-8.54(-0.84)
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]-3-phenyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)CCN3C=CC(=O)NC3=O)N(C1)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations