Geometry & MOs

Info

ID:

418378

PubChem CID:

135104440

Reduced:

SN2O6C14H20 (1)

Stoich.:

AB2C6D14E20 (1)

Weight, g/mol:

717.297839

ΔHf, kcal/mol:

-241.91

Dipole, Da:

5.35

IP(EA), eV:

 -9.22(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-15-(2-hydroxyacetyl)-4-methyl-10-(2-methylsulfanylethyl)-19-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=C(C=CC=C2O)O

DOS

IR

Vibrations