Geometry & MOs

Info

ID:

88137

PubChem CID:

49901825

Reduced:

SCl2N2O7H16C25 (1)

Stoich.:

AB2C2D7E16F25 (1)

Weight, g/mol:

601.95501

ΔHf, kcal/mol:

-120.06

Dipole, Da:

4.34

IP(EA), eV:

 -9.48(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-6-methoxy-4-[(Z)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations