Geometry & MOs

Info

ID:	88130
PubChem CID:	49901808
Reduced:	ClSN2O4H23C30 (1)
Stoich.:	ABC2D4E23F30 (1)
Weight, g/mol:	513.020449
ΔH_f, kcal/mol:	-73.94
Dipole, Da:	2.5
IP(EA), eV:	-8.98(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4)Cl

DOS

IR

Vibrations