Geometry & MOs

Info

ID:	88186
PubChem CID:	49902219
Reduced:	BrNSO5H18C25 (1)
Stoich.:	ABCD5E18F25 (1)
Weight, g/mol:	559.052622
ΔH_f, kcal/mol:	-107.08
Dipole, Da:	3.41
IP(EA), eV:	-9.42(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations