Geometry & MOs

Info

ID:

88145

PubChem CID:

49901855

Reduced:

BrSN2O5H29C30 (1)

Stoich.:

ABC2D5E29F30 (1)

Weight, g/mol:

550.05619

ΔHf, kcal/mol:

-127.99

Dipole, Da:

6.92

IP(EA), eV:

 -8.8(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCC(=O)NC4=CC=CC=C4C(C)C

DOS

IR

Vibrations