Geometry & MOs

Info

ID:	87284
PubChem CID:	49893672
Reduced:	ClSN2O6H21C27 (1)
Stoich.:	ABC2D6E21F27 (1)
Weight, g/mol:	442.083472
ΔH_f, kcal/mol:	-158.5
Dipole, Da:	9.75
IP(EA), eV:	-8.86(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-nitrophenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations