Geometry & MOs

Info

ID:

426573

PubChem CID:

135150134

Reduced:

S2O5N8H16C17 (1)

Stoich.:

A2B5C8D16E17 (1)

Weight, g/mol:

951.340767

ΔHf, kcal/mol:

3.1

Dipole, Da:

9.22

IP(EA), eV:

 -9.23(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-[4-(2-amino-1-methylbenzimidazol-4-yl)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylpropyl]-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

C1C(CN1)S(=O)(=O)C2=C(C(=C(C=C2)C3=CC4=C(C=C3)N=C(O4)N)C5=NNN=N5)S(=O)(=O)N

DOS

IR

Vibrations