Geometry & MOs

Info

ID:

421214

PubChem CID:

135115596

Reduced:

N3O3C22H29 (1)

Stoich.:

A3B3C22D29 (1)

Weight, g/mol:

753.384997

ΔHf, kcal/mol:

-82.4

Dipole, Da:

4.79

IP(EA), eV:

 -9.16(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R,9S,12S,18R)-12-benzyl-16-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-3,9,10-trimethyl-18-phenyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(O2)C(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations