Geometry & MOs

Info

ID:

421805

PubChem CID:

135116646

Reduced:

SN2O4C17H24 (1)

Stoich.:

AB2C4D17E24 (1)

Weight, g/mol:

681.373764

ΔHf, kcal/mol:

-88.63

Dipole, Da:

10.14

IP(EA), eV:

 -9.06(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-14-[(3,5-dimethoxyphenyl)methyl]-20-hydroxy-7,8-dimethyl-10-(2-methylpropyl)-17-oxa-2,5,8,11,14-pentazabicyclo[14.3.1]icosane-3,6,9,12-tetrone

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations