Geometry & MOs

Info

ID:

421916

PubChem CID:

135116834

Reduced:

ClNO2C17H22 (1)

Stoich.:

ABC2D17E22 (1)

Weight, g/mol:

748.325434

ΔHf, kcal/mol:

-88.95

Dipole, Da:

5.29

IP(EA), eV:

 -9.3(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-2,5,8,11-tetraoxo-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-17-carbonyl]-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations