Geometry & MOs

Info

ID:

423033

PubChem CID:

135118815

Reduced:

O2N4C17H20 (1)

Stoich.:

A2B4C17D20 (1)

Weight, g/mol:

825.453745

ΔHf, kcal/mol:

-3.47

Dipole, Da:

5.89

IP(EA), eV:

 -8.98(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,12R,18S)-12-(1H-indol-3-ylmethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-16-[3-(2-methylpyrazol-3-yl)propanoyl]-18-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations