Geometry & MOs

Info

ID:

415599

PubChem CID:

135088597

Reduced:

SO2N3C20H27 (1)

Stoich.:

AB2C3D20E27 (1)

Weight, g/mol:

706.391479

ΔHf, kcal/mol:

-60.55

Dipole, Da:

2.73

IP(EA), eV:

 -8.44(-0.08)

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-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)N1CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3)N

DOS

IR

Vibrations