Geometry & MOs

Info

ID:	221527
PubChem CID:	85273826
Reduced:	ClFSN2O2H10C13 (1)
Stoich.:	ABCD2E2F10G13 (1)
Weight, g/mol:	313.121512
ΔH_f, kcal/mol:	-47.41
Dipole, Da:	2.3
IP(EA), eV:	-8.83(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-phenyl-3-pyridin-4-yl-1H-pyrazol-5-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)COC(=O)C(=NNC2=CC=C(C=C2)F)Cl

DOS

IR

Vibrations