Geometry & MOs

Info

ID:	244118
PubChem CID:	99313700
Reduced:	FSN4O4C23H25 (1)
Stoich.:	ABC4D4E23F25 (1)
Weight, g/mol:	430.16166
ΔH_f, kcal/mol:	-132.72
Dipole, Da:	8.88
IP(EA), eV:	-8.79(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(N=CN3C)C4=CC=C(C=C4)F

DOS

IR

Vibrations