Geometry & MOs

Info

ID:	87401
PubChem CID:	49894490
Reduced:	SN3O6H27C29 (1)
Stoich.:	AB3C6D27E29 (1)
Weight, g/mol:	463.064507
ΔH_f, kcal/mol:	-159.02
Dipole, Da:	5.87
IP(EA), eV:	-8.66(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(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)C)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations