Geometry & MOs

Info

ID:

415908

PubChem CID:

135088910

Reduced:

SN4C21H32 (1)

Stoich.:

AB4C21D32 (1)

Weight, g/mol:

577.290034

ΔHf, kcal/mol:

35.09

Dipole, Da:

5.31

IP(EA), eV:

 -8.71(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R,9S,15S)-9-benzyl-13-(cyclopropylmethyl)-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

CCN1C=CN=C1C2CCCN(C2)CC3=CC=C(S3)CN4CCCCC4

DOS

IR

Vibrations