Geometry & MOs

Info

ID:	87402
PubChem CID:	49894491
Reduced:	ClNSO4H18C25 (1)
Stoich.:	ABCD4E18F25 (1)
Weight, g/mol:	530.187543
ΔH_f, kcal/mol:	-85.94
Dipole, Da:	2.06
IP(EA), eV:	-9.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[2-ethoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations