Geometry & MOs

Info

ID:	140205
PubChem CID:	52663015
Reduced:	FO3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	462.153718
ΔH_f, kcal/mol:	-111.52
Dipole, Da:	8.3
IP(EA), eV:	-8.63(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)NC(=O)[C@H](C(C)C)NC(=O)C3=CC=C(C=C3)OC)F)C

DOS

IR

Vibrations