Geometry & MOs

Info

ID:	87796
PubChem CID:	49897417
Reduced:	FSN3O3H20C24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	563.09985
ΔH_f, kcal/mol:	-93.44
Dipole, Da:	10.23
IP(EA), eV:	-8.73(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations