Geometry & MOs

Info

ID:

414617

PubChem CID:

135087576

Reduced:

ON2F4C17H20 (1)

Stoich.:

AB2C4D17E20 (1)

Weight, g/mol:

559.265551

ΔHf, kcal/mol:

-244.04

Dipole, Da:

3.95

IP(EA), eV:

 -9.13(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R)-5-(1H-indol-3-ylmethyl)-2-methyl-11-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carbonyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CN(CC1=C(C=C(C=C1)C(F)(F)F)F)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations