Geometry & MOs

Info

ID:

171096

PubChem CID:

75328001

Reduced:

BrSN3O7H26C29 (1)

Stoich.:

ABC3D7E26F29 (1)

Weight, g/mol:

570.00157

ΔHf, kcal/mol:

-130.36

Dipole, Da:

5.66

IP(EA), eV:

 -8.51(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])Br)OCC(=O)NC4=C(C=C(C=C4)C)C

DOS

IR

Vibrations