Geometry & MOs

Info

ID:

423903

PubChem CID:

135120686

Reduced:

N3O3C20H25 (1)

Stoich.:

A3B3C20D25 (1)

Weight, g/mol:

654.283569

ΔHf, kcal/mol:

-104.17

Dipole, Da:

6.37

IP(EA), eV:

 -8.57(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetyl-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]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations