Geometry & MOs

Info

ID:	87380
PubChem CID:	49894358
Reduced:	SN2O5H24C26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	599.97575
ΔH_f, kcal/mol:	-137.19
Dipole, Da:	3.91
IP(EA), eV:	-8.72(-1.15)
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] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C=CC(=C2/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)OCC

DOS

IR

Vibrations