Geometry & MOs

Info

ID:

422967

PubChem CID:

135118699

Reduced:

NO4C20H29 (1)

Stoich.:

AB4C20D29 (1)

Weight, g/mol:

718.369013

ΔHf, kcal/mol:

-159.66

Dipole, Da:

3.85

IP(EA), eV:

 -8.37(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S,9S,12S,19S)-3-benzyl-9-ethyl-6-[(1R)-1-hydroxyethyl]-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-3,4-dihydro-2H-chromene-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN2CC[C@H]([C@@](C2)(CC3CC3)C(=O)O)O)C

DOS

IR

Vibrations