Geometry & MOs

Info

ID:	87691
PubChem CID:	49896544
Reduced:	NS2O5H21C28 (1)
Stoich.:	AB2C5D21E28 (1)
Weight, g/mol:	493.075072
ΔH_f, kcal/mol:	-101.46
Dipole, Da:	7.88
IP(EA), eV:	-9.13(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-6-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC5=CC=CC=C5C=C4)/SC2=O

DOS

IR

Vibrations