Geometry & MOs

Info

ID:

415809

PubChem CID:

135088810

Reduced:

ON6C15H22 (1)

Stoich.:

AB6C15D22 (1)

Weight, g/mol:

823.438095

ΔHf, kcal/mol:

-1.27

Dipole, Da:

4.65

IP(EA), eV:

 -8.89(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NCCCN2C(=NC(=N2)C)C)C(=O)N

DOS

IR

Vibrations