Geometry & MOs

Info

ID:	88070
PubChem CID:	49900464
Reduced:	SCl2N2O5H24C28 (1)
Stoich.:	AB2C2D5E24F28 (1)
Weight, g/mol:	387.984004
ΔH_f, kcal/mol:	-137.75
Dipole, Da:	3.11
IP(EA), eV:	-8.6(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations