Geometry & MOs

Info

ID:

87541

PubChem CID:

49895256

Reduced:

SN3O5H25C30 (1)

Stoich.:

AB3C5D25E30 (1)

Weight, g/mol:

553.00561

ΔHf, kcal/mol:

-98.96

Dipole, Da:

3.86

IP(EA), eV:

 -8.69(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2-iodo-6-methoxy-4-[(Z)-[3-[(2-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=C(N(C4=CC=CC=C43)CC(=O)NC5=CC6=C(C=C5)OCO6)C)/SC2=O

DOS

IR

Vibrations