Geometry & MOs

Info

ID:

415832

PubChem CID:

135088833

Reduced:

SO2N4C18H30 (1)

Stoich.:

AB2C4D18E30 (1)

Weight, g/mol:

649.35092

ΔHf, kcal/mol:

-85.38

Dipole, Da:

6.14

IP(EA), eV:

 -9.27(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-(cyclopentylmethylsulfonyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1NC2CCN(CC2)C3CCS(=O)(=O)CC3)C

DOS

IR

Vibrations