Geometry & MOs

Info

ID:	87256
PubChem CID:	49893476
Reduced:	ClNSO4H22C26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	548.02528
ΔH_f, kcal/mol:	-84.33
Dipole, Da:	6.13
IP(EA), eV:	-8.86(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-bromo-6-methoxyphenoxy]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C(=CC=C3)OC)OCC4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations