Geometry & MOs

Info

ID:	88181
PubChem CID:	49902201
Reduced:	BrNSO3H16C19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	586.063521
ΔH_f, kcal/mol:	-61.87
Dipole, Da:	6.82
IP(EA), eV:	-9.11(-1.17)
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-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations