Geometry & MOs

Info

ID:	158759
PubChem CID:	56468332
Reduced:	FSO2N6H19C21 (1)
Stoich.:	ABC2D6E19F21 (1)
Weight, g/mol:	441.171336
ΔH_f, kcal/mol:	16.84
Dipole, Da:	13.51
IP(EA), eV:	-9.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC3=CC(=C(C=C3)F)N4C(=NN=N4)C

DOS

IR

Vibrations