Geometry & MOs

Info

ID:

423055

PubChem CID:

135118848

Reduced:

ON4C19H22 (1)

Stoich.:

AB4C19D22 (1)

Weight, g/mol:

783.406795

ΔHf, kcal/mol:

25.83

Dipole, Da:

5.5

IP(EA), eV:

 -8.6(-0.32)

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-(1H-pyrazole-5-carbonyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations