Geometry & MOs

Info

ID:

88114

PubChem CID:

49901515

Reduced:

SN2O5C34H34 (1)

Stoich.:

AB2C5D34E34 (1)

Weight, g/mol:

487.004799

ΔHf, kcal/mol:

-147.21

Dipole, Da:

3.44

IP(EA), eV:

 -8.94(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OCC(=O)NC56CC7CC(C5)CC(C7)C6

DOS

IR

Vibrations