Geometry & MOs

Info

ID:	87913
PubChem CID:	49898581
Reduced:	BrNSO2H14C21 (1)
Stoich.:	ABCD2E14F21 (1)
Weight, g/mol:	728.01479
ΔH_f, kcal/mol:	2.97
Dipole, Da:	1.82
IP(EA), eV:	-8.98(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-6-iodo-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC(=CC=C4)Br)/SC3=O

DOS

IR

Vibrations