Geometry & MOs

Info

ID:	86595
PubChem CID:	49887497
Reduced:	ClNSO4H18C25 (1)
Stoich.:	ABCD4E18F25 (1)
Weight, g/mol:	479.059422
ΔH_f, kcal/mol:	-87.01
Dipole, Da:	5.61
IP(EA), eV:	-9.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations