Geometry & MOs

Info

ID:

427985

PubChem CID:

135165650

Reduced:

IS2N5O9C38H40 (1)

Stoich.:

AB2C5D9E38F40 (1)

Weight, g/mol:

873.1363

ΔHf, kcal/mol:

-165.55

Dipole, Da:

4.29

IP(EA), eV:

 -8.64(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]sulfonyl-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2N=C(N=N2)C3=C(C=CC(=C3S(=O)(=O)N(CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC)S(=O)(=O)[C@@H]6CC[C@@H](C6)C(=O)OC)I

DOS

IR

Vibrations