Geometry & MOs

Info

ID:	87089
PubChem CID:	49891849
Reduced:	ClFNSO4H19C25 (1)
Stoich.:	ABCDE4F19G25 (1)
Weight, g/mol:	570.093072
ΔH_f, kcal/mol:	-118.82
Dipole, Da:	2.16
IP(EA), eV:	-8.81(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-4-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)Cl)OCC4=CC=CC=C4

DOS

IR

Vibrations