Geometry & MOs

Info

ID:	87283
PubChem CID:	49893668
Reduced:	BrNSO3H18C21 (1)
Stoich.:	ABCD3E18F21 (1)
Weight, g/mol:	536.080885
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	5.74
IP(EA), eV:	-9.15(-1.28)
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]-2-chloro-6-methoxyphenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC=C)/SC2=O

DOS

IR

Vibrations