Geometry & MOs

Info

ID:	87460
PubChem CID:	49894791
Reduced:	SN3O6H19C24 (1)
Stoich.:	AB3C6D19E24 (1)
Weight, g/mol:	486.161329
ΔH_f, kcal/mol:	-65.23
Dipole, Da:	4.46
IP(EA), eV:	-9.39(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC4=NC=C(C=C4)[N+](=O)[O-])OC)/SC2=O

DOS

IR

Vibrations