Geometry & MOs

Info

ID:

414891

PubChem CID:

135087863

Reduced:

O2N5C18H21 (1)

Stoich.:

A2B5C18D21 (1)

Weight, g/mol:

679.358114

ΔHf, kcal/mol:

40.23

Dipole, Da:

2.85

IP(EA), eV:

 -8.44(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,6S,9S,15S)-9-benzyl-15-(hydroxymethyl)-13-(3-methylbutyl)-4-(2-propan-2-yloxyacetyl)-19-oxa-4,7,10,13,16-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone

Drug info:

PubChemData

Smile

CC1=NN(C=C1NC(=O)CN(C)CC2=CC(=NO2)C3=CC=CC=C3)C

DOS

IR

Vibrations