Geometry & MOs

Info

ID:	87778
PubChem CID:	49897268
Reduced:	S2N3O9H19C22 (1)
Stoich.:	A2B3C9D19E22 (1)
Weight, g/mol:	502.096535
ΔH_f, kcal/mol:	-211.37
Dipole, Da:	2.82
IP(EA), eV:	-9.41(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-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

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])/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

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):