Geometry & MOs

Info

ID:

417490

PubChem CID:

135095551

Reduced:

NC4H7 (4)

Stoich.:

AB4C7 (4)

Weight, g/mol:

722.346169

ΔHf, kcal/mol:

17.45

Dipole, Da:

4.69

IP(EA), eV:

 -8.67(0.95)

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]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1C2CN(C2)CC3=CN=CN3C(C)C

DOS

IR

Vibrations