Geometry & MOs

Info

ID:

87631

PubChem CID:

49896035

Reduced:

BrSN2O2H23C28 (1)

Stoich.:

ABC2D2E23F28 (1)

Weight, g/mol:

506.106706

ΔHf, kcal/mol:

3.17

Dipole, Da:

5.85

IP(EA), eV:

 -8.61(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[3-[(Z)-[3-[(4-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=C(N(C(=C3)C)C4=CC=C(C5=CC=CC=C54)Br)C)/SC2=O

DOS

IR

Vibrations