Geometry & MOs

Info

ID:	87254
PubChem CID:	49893456
Reduced:	ISN2O5H25C28 (1)
Stoich.:	ABC2D5E25F28 (1)
Weight, g/mol:	599.97575
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	5.16
IP(EA), eV:	-8.9(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)I)OCC4=CC=CC=C4C

DOS

IR

Vibrations