Geometry & MOs

Info

ID:	155673
PubChem CID:	56366808
Reduced:	SN3O5C24H25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	457.191403
ΔH_f, kcal/mol:	-164.35
Dipole, Da:	3.38
IP(EA), eV:	-8.54(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)N(C(=O)N2)CCC(=O)NC3=CC4=C(C=C3SC5=CC=CC=C5)OCCO4

DOS

IR

Vibrations