Geometry & MOs

Info

ID:

87572

PubChem CID:

49895575

Reduced:

BrNSO4H22C26 (1)

Stoich.:

ABCD4E22F26 (1)

Weight, g/mol:

556.062648

ΔHf, kcal/mol:

-72.34

Dipole, Da:

3.72

IP(EA), eV:

 -8.78(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-chloro-6-methoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Br)OC)/SC2=O

DOS

IR

Vibrations