Geometry & MOs

Info

ID:

49386

PubChem CID:

11532955

Reduced:

N2S3O4H20C22 (1)

Stoich.:

A2B3C4D20E22 (1)

Weight, g/mol:

472.29506

ΔHf, kcal/mol:

-96.04

Dipole, Da:

2.29

IP(EA), eV:

 -8.32(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,13S,14S,17S,18S)-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2,18-dimethyl-6,9-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,7-diene-17-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(N1C(=O)CN4C(=O)CCC4=O)C(=CC=C3)O)C5(C=CS2)SC=CS5)C

DOS

IR

Vibrations