Geometry & MOs

Info

ID:	87270
PubChem CID:	49893508
Reduced:	ClNSO3H16C22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	364.088164
ΔH_f, kcal/mol:	-44.47
Dipole, Da:	2.42
IP(EA), eV:	-8.97(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4Cl)/SC2=O

DOS

IR

Vibrations