Geometry & MOs

Info

ID:

422437

PubChem CID:

135117831

Reduced:

O2N5C19H23 (1)

Stoich.:

A2B5C19D23 (1)

Weight, g/mol:

699.326813

ΔHf, kcal/mol:

13.12

Dipole, Da:

3.69

IP(EA), eV:

 -8.96(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R,9S,15S)-9-benzyl-13-(cyclopropylmethyl)-4-(2,5-dimethylfuran-3-carbonyl)-15-[(1R)-1-hydroxyethyl]-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

CN1C=NC=C1CN(CCO)C(=O)CN2C3=CC=CC=C3N=C2C4CC4

DOS

IR

Vibrations