Geometry & MOs

Info

ID:	88417
PubChem CID:	49903369
Reduced:	BrClNSO4H19C25 (1)
Stoich.:	ABCDE4F19G25 (1)
Weight, g/mol:	590.93096
ΔH_f, kcal/mol:	-72.51
Dipole, Da:	1.81
IP(EA), eV:	-9.02(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-chloro-6-methoxyphenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Br

DOS

IR

Vibrations