Geometry & MOs

Info

ID:

423342

PubChem CID:

135119334

Reduced:

ON5C21H27 (1)

Stoich.:

AB5C21D27 (1)

Weight, g/mol:

666.385331

ΔHf, kcal/mol:

27.97

Dipole, Da:

3.08

IP(EA), eV:

 -8.68(-0.12)

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-ethyl-5-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)NC(=O)CN2CCC(CC2)(C#N)C3=CC=CC=C3)C

DOS

IR

Vibrations