Geometry & MOs

Info

ID:

87301

PubChem CID:

49893892

Reduced:

SN5O5H27C28 (1)

Stoich.:

AB5C5D27E28 (1)

Weight, g/mol:

502.119858

ΔHf, kcal/mol:

-55.04

Dipole, Da:

13.24

IP(EA), eV:

 -8.61(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)/C=C\4/C(=O)N(C(=O)S4)CC(=O)NC5=CC=CC=C5

DOS

IR

Vibrations