Geometry & MOs

Info

ID:

414870

PubChem CID:

135087842

Reduced:

N2O5C15H20 (1)

Stoich.:

A2B5C15D20 (1)

Weight, g/mol:

797.422445

ΔHf, kcal/mol:

-215.34

Dipole, Da:

4.08

IP(EA), eV:

 -9.65(-0.84)

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-16-(1-methylimidazole-4-carbonyl)-9-(2-methylpropyl)-18-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)C(=O)C2=CNC(=O)C=C2)C(=O)O

DOS

IR

Vibrations