Geometry & MOs

Info

ID:

414832

PubChem CID:

135087803

Reduced:

FNOC9H13 (2)

Stoich.:

ABCD9E13 (2)

Weight, g/mol:

731.400647

ΔHf, kcal/mol:

-160.41

Dipole, Da:

1.92

IP(EA), eV:

 -8.82(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,12R,18S)-16-acetyl-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

CN1CCC[C@]2([C@H]1CN(CC2)CC3=C(C=CC(=C3F)F)OC)CO

DOS

IR

Vibrations