Geometry & MOs

Info

ID:

417512

PubChem CID:

135096975

Reduced:

SO2N3C16H21 (1)

Stoich.:

AB2C3D16E21 (1)

Weight, g/mol:

589.347549

ΔHf, kcal/mol:

-53.48

Dipole, Da:

3.86

IP(EA), eV:

 -9.0(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)C(=O)C2=CSC3=C2CCCC3

DOS

IR

Vibrations