Geometry & MOs

Info

ID:

416053

PubChem CID:

135089058

Reduced:

O2N3C22H25 (1)

Stoich.:

A2B3C22D25 (1)

Weight, g/mol:

563.285617

ΔHf, kcal/mol:

-31.13

Dipole, Da:

6.48

IP(EA), eV:

 -8.59(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,13S)-14-(furan-3-carbonyl)-2-(3-methylbutanoyl)-6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CC1=CNC(=C(C1=O)C)CN2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations