Geometry & MOs

Info

ID:	148427
PubChem CID:	53788089
Reduced:	FNOCl2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	459.032555
ΔH_f, kcal/mol:	-68.64
Dipole, Da:	2.95
IP(EA), eV:	-9.12(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-5-hydroxy-3-methoxy-6-[2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-sulfanylideneacetyl]amino]ethylsulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CC(=C(C1=C(C=CC=C1Cl)F)N(CC=C)C(=O)CCl)C

DOS

IR

Vibrations