Geometry & MOs

Info

ID:	88001
PubChem CID:	49899566
Reduced:	NSCl2I2O3H13C19 (1)
Stoich.:	ABC2D2E3F13G19 (1)
Weight, g/mol:	587.032077
ΔH_f, kcal/mol:	-42.79
Dipole, Da:	3.1
IP(EA), eV:	-9.17(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1I)I)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations