Geometry & MOs

Info

ID:	87308
PubChem CID:	49893934
Reduced:	NSO5H27C28 (1)
Stoich.:	ABC5D27E28 (1)
Weight, g/mol:	536.080885
ΔH_f, kcal/mol:	-124.29
Dipole, Da:	3.55
IP(EA), eV:	-8.76(-0.98)
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-ethoxyphenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCCOC4=CC=C(C=C4)C)OC)/SC2=O

DOS

IR

Vibrations