Geometry & MOs

Info

ID:	440293
PubChem CID:	135230240
Reduced:	OSN7C13H15 (1)
Stoich.:	ABC7D13E15 (1)
Weight, g/mol:	972.17962
ΔH_f, kcal/mol:	97.13
Dipole, Da:	9.6
IP(EA), eV:	-9.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(1-methyltetrazol-5-yl)-6-[6-[1-(1-methyltetrazol-5-yl)-6-[2-[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylpyrimidin-4-yl]benzimidazol-2-yl]sulfanylpyridin-2-yl]-2-(pyridin-2-ylmethylsulfanyl)benzimidazole

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

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC(=O)N(C)C

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

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC(=O)N(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):