Geometry & MOs

Info

ID:	244300
PubChem CID:	99319747
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	388.169939
ΔH_f, kcal/mol:	17.02
Dipole, Da:	8.59
IP(EA), eV:	-8.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2-methyl-N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)N[C@@H](C)C3=C(N(N=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations