Geometry & MOs

Info

ID:	343264
PubChem CID:	127266437
Reduced:	ClFSN3O3H15C19 (1)
Stoich.:	ABCD3E3F15G19 (1)
Weight, g/mol:	475.137102
ΔH_f, kcal/mol:	-47.54
Dipole, Da:	3.03
IP(EA), eV:	-8.6(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[phenyl-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]phosphinothioyl]oxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=C/C(=C/C(=C/2\NN=C(S2)C(=O)NCC3=CC=C(C=C3)F)/Cl)/C=CC1=O

DOS

IR

Vibrations