Geometry & MOs

Info

ID:	87375
PubChem CID:	49894342
Reduced:	ClNSO5H16C23 (1)
Stoich.:	ABCD5E16F23 (1)
Weight, g/mol:	396.077993
ΔH_f, kcal/mol:	-125.38
Dipole, Da:	5.93
IP(EA), eV:	-9.3(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations