Geometry & MOs

Info

ID:

415371

PubChem CID:

135088365

Reduced:

O4N7C35H47 (1)

Stoich.:

A4B7C35D47 (1)

Weight, g/mol:

678.328959

ΔHf, kcal/mol:

-128.84

Dipole, Da:

7.29

IP(EA), eV:

 -9.04(-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]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)CC4=NC=CN4C

DOS

IR

Vibrations