Geometry & MOs

Info

ID:	87431
PubChem CID:	49894593
Reduced:	NO2S2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	569.96518
ΔH_f, kcal/mol:	-26.45
Dipole, Da:	1.32
IP(EA), eV:	-8.75(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations