Geometry & MOs

Info

ID:	87608
PubChem CID:	49895765
Reduced:	NSI2O3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	487.145344
ΔH_f, kcal/mol:	-35.61
Dipole, Da:	2.13
IP(EA), eV:	-9.38(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)I)O)I)/SC2=O

DOS

IR

Vibrations