Geometry & MOs

Info

ID:	171233
PubChem CID:	75347172
Reduced:	SN2O8H28C30 (1)
Stoich.:	AB2C8D28E30 (1)
Weight, g/mol:	643.07948
ΔH_f, kcal/mol:	-169.36
Dipole, Da:	6.05
IP(EA), eV:	-8.63(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=C(C=C1)C(C)C)OCCN2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC)SC2=O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=C(C=C1)C(C)C)OCCN2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC)SC2=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):