Geometry & MOs

Info

ID:

416018

PubChem CID:

135089023

Reduced:

ON3C12H14 (2)

Stoich.:

AB3C12D14 (2)

Weight, g/mol:

710.363927

ΔHf, kcal/mol:

0.96

Dipole, Da:

2.39

IP(EA), eV:

 -8.84(-0.67)

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]-2-(3,4,5-trimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34)C5=NC=CC=N5

DOS

IR

Vibrations