Geometry & MOs

Info

ID:

419953

PubChem CID:

135110142

Reduced:

N7C15H23 (1)

Stoich.:

A7B15C23 (1)

Weight, g/mol:

705.283235

ΔHf, kcal/mol:

63.86

Dipole, Da:

3.79

IP(EA), eV:

 -8.47(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-23-methoxy-13-(2-pyridin-3-ylacetyl)-2-oxa-5,8,13,17-tetrazatricyclo[19.2.2.13,6]hexacosa-1(23),21,24-triene-7,18-dione

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCCC2)NC(C)CN3C=NC=N3

DOS

IR

Vibrations