Geometry & MOs

Info

ID:	87587
PubChem CID:	49895641
Reduced:	ClSN2O5H15C22 (1)
Stoich.:	ABC2D5E15F22 (1)
Weight, g/mol:	585.01069
ΔH_f, kcal/mol:	-45.67
Dipole, Da:	4.71
IP(EA), eV:	-9.4(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)/SC2=O

DOS

IR

Vibrations