Geometry & MOs

Info

ID:

416732

PubChem CID:

135090185

Reduced:

N2O2C19H22 (1)

Stoich.:

A2B2C19D22 (1)

Weight, g/mol:

623.314141

ΔHf, kcal/mol:

18.4

Dipole, Da:

4.73

IP(EA), eV:

 -8.8(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-3-benzyl-15-ethyl-9-methyl-6-(2-methylpropyl)-13-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)CN3C[C@@H]4COC[C@H](C3)NC4=O

DOS

IR

Vibrations