Geometry & MOs

Info

ID:

416560

PubChem CID:

135089681

Reduced:

NOC8H10 (2)

Stoich.:

ABC8D10 (2)

Weight, g/mol:

825.453745

ΔHf, kcal/mol:

-56.82

Dipole, Da:

6.25

IP(EA), eV:

 -9.5(-0.35)

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)-18-propan-2-yl-16-(1-propan-2-ylpyrazole-3-carbonyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CC=NC=C3)OCC1

DOS

IR

Vibrations