Geometry & MOs

Info

ID:	171235
PubChem CID:	75347229
Reduced:	SN2O7C33H36 (1)
Stoich.:	AB2C7D33E36 (1)
Weight, g/mol:	552.148571
ΔH_f, kcal/mol:	-214.99
Dipole, Da:	3.07
IP(EA), eV:	-8.56(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[2,5-dimethyl-3-[[3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid

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

CCOC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CCOC4=C(C=CC(=C4)C)C(C)C)OC

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

CCOC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CCOC4=C(C=CC(=C4)C)C(C)C)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):