Geometry & MOs

Info

ID:

415033

PubChem CID:

135088013

Reduced:

OS2N6C17H18 (1)

Stoich.:

AB2C6D17E18 (1)

Weight, g/mol:

787.337476

ΔHf, kcal/mol:

53.65

Dipole, Da:

5.16

IP(EA), eV:

 -9.07(-1.4)

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]-2-(3-fluoro-N-methylsulfonylanilino)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC(C)C(=O)NCC2=CSC(=N2)C3=NC=CN=C3)C

DOS

IR

Vibrations