Geometry & MOs

Info

ID:

427984

PubChem CID:

135165649

Reduced:

IS2N6O9C39H45 (1)

Stoich.:

AB2C6D9E39F45 (1)

Weight, g/mol:

901.13122

ΔHf, kcal/mol:

-194.11

Dipole, Da:

8.44

IP(EA), eV:

 -8.54(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3R)-3-[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-iodo-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCS(=O)(=O)C1=C(C(=C(C=C1)I)C2=NN(N=N2)CC3=CC=C(C=C3)OC)S(=O)(=O)N(CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations