Geometry & MOs

Info

ID:

87359

PubChem CID:

49894283

Reduced:

BrSN2O5H19C25 (1)

Stoich.:

ABC2D5E19F25 (1)

Weight, g/mol:

574.188606

ΔHf, kcal/mol:

-41.8

Dipole, Da:

5.94

IP(EA), eV:

 -9.44(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations