Geometry & MOs

Info

ID:

379107

PubChem CID:

134352388

Reduced:

NH27C41 (1)

Stoich.:

AB27C41 (1)

Weight, g/mol:

785.411212

ΔHf, kcal/mol:

177.89

Dipole, Da:

1.49

IP(EA), eV:

 -8.1(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(1S,8S,11S,15R,17S,21S)-11,15-dimethyl-2,9,12,18,22-pentaoxo-19-oxa-3,10,13,23-tetrazatetracyclo[21.4.0.03,8.013,17]heptacosan-21-yl]-3-phenyl-2-(2-phenylethylcarbamoylamino)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC5=C4C2=CC=C5)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=CC=CC=C97

DOS

IR

Vibrations