Geometry & MOs

Info

ID:

416848

PubChem CID:

135090585

Reduced:

SN4O4C18H22 (1)

Stoich.:

AB4C4D18E22 (1)

Weight, g/mol:

706.332627

ΔHf, kcal/mol:

-106.18

Dipole, Da:

3.99

IP(EA), eV:

 -9.19(-1.51)

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]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CSC(=N3)C4=NC=CC=N4)O

DOS

IR

Vibrations