Geometry & MOs

Info

ID:

420136

PubChem CID:

135111366

Reduced:

OSN6C18H22 (1)

Stoich.:

ABC6D18E22 (1)

Weight, g/mol:

684.294134

ΔHf, kcal/mol:

25.97

Dipole, Da:

6.96

IP(EA), eV:

 -8.84(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-3-benzyl-13-[5-(3,4-dimethyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-15-ethyl-9-methyl-6-(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCCC2)N(C)CC3=NC(=O)C4=C(N3)C=CS4

DOS

IR

Vibrations