Geometry & MOs

Info

ID:	88359
PubChem CID:	49903045
Reduced:	ClNSO4H18C25 (1)
Stoich.:	ABCD4E18F25 (1)
Weight, g/mol:	516.970912
ΔH_f, kcal/mol:	-83.51
Dipole, Da:	3.15
IP(EA), eV:	-9.31(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-2-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=CC=C3)OC(=O)C4=CC=CC=C4Cl)/SC2=O

DOS

IR

Vibrations