Geometry & MOs

Info

ID:

88508

PubChem CID:

49903962

Reduced:

S2N3O9H23C27 (1)

Stoich.:

A2B3C9D23E27 (1)

Weight, g/mol:

631.048599

ΔHf, kcal/mol:

-205.29

Dipole, Da:

14.75

IP(EA), eV:

 -8.74(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-6-ethoxy-4-[(Z)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations