Geometry & MOs

Info

ID:	140407
PubChem CID:	52692622
Reduced:	FOSN2H15C20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	457.170965
ΔH_f, kcal/mol:	21.0
Dipole, Da:	5.41
IP(EA), eV:	-9.43(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylamino]-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC#N)C(=O)C2=CC=C(S2)C3=CC=C(C=C3)F

DOS

IR

Vibrations