Geometry & MOs

Info

ID:

420003

PubChem CID:

135110685

Reduced:

ON4C20H22 (1)

Stoich.:

AB4C20D22 (1)

Weight, g/mol:

670.311498

ΔHf, kcal/mol:

63.3

Dipole, Da:

5.04

IP(EA), eV:

 -8.7(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R,9S,15S)-9-benzyl-13-(cyclopropylmethyl)-15-[(1R)-1-hydroxyethyl]-4-(1H-pyrrole-3-carbonyl)-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=NC=CC(=N1)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations