Geometry & MOs

Info

ID:

88349

PubChem CID:

49903019

Reduced:

SN2O2H22C30 (1)

Stoich.:

AB2C2D22E30 (1)

Weight, g/mol:

590.081758

ΔHf, kcal/mol:

40.28

Dipole, Da:

5.98

IP(EA), eV:

 -8.6(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methoxy-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations