Geometry & MOs

Info

ID:

418671

PubChem CID:

135106532

Reduced:

N3O3C20H21 (1)

Stoich.:

A3B3C20D21 (1)

Weight, g/mol:

653.353697

ΔHf, kcal/mol:

-51.26

Dipole, Da:

1.81

IP(EA), eV:

 -9.1(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations