Geometry & MOs

Info

ID:

421324

PubChem CID:

135115784

Reduced:

SN3O4C18H25 (1)

Stoich.:

AB3C4D18E25 (1)

Weight, g/mol:

673.358782

ΔHf, kcal/mol:

-159.91

Dipole, Da:

4.73

IP(EA), eV:

 -8.96(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,8S)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-2-(2-methylpropyl)-14-(quinoxaline-5-carbonyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CC=C(C=C3)N(C)S(=O)(=O)C

DOS

IR

Vibrations