Geometry & MOs

Info

ID:

422040

PubChem CID:

135117066

Reduced:

ClN4O4C18H21 (1)

Stoich.:

AB4C4D18E21 (1)

Weight, g/mol:

660.363533

ΔHf, kcal/mol:

-94.36

Dipole, Da:

4.35

IP(EA), eV:

 -9.39(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-13-(1-methylindole-3-carbonyl)-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C[C@H]1CN(CC(=O)N1)C(=O)C2=C(ON=C2NCCOC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations