Geometry & MOs

Info

ID:	313617
PubChem CID:	126616704
Reduced:	Cl2N2O3H30C34 (1)
Stoich.:	A2B2C3D30E34 (1)
Weight, g/mol:	655.200462
ΔH_f, kcal/mol:	-13.28
Dipole, Da:	1.63
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[bis(4-chlorophenyl)methyl]-1-[1-[(3-methoxycarbonylphenyl)methyl]piperidin-4-yl]benzimidazol-2-yl]propanoic 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

CCOC(=O)COC1=CC=CC(=C1)CN2C3=C(C=CC(=C3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)N=C2C6CC6

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

CCOC(=O)COC1=CC=CC(=C1)CN2C3=C(C=CC(=C3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)N=C2C6CC6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):