Geometry & MOs

Info

ID:

419228

PubChem CID:

135107771

Reduced:

SN2O5C18H28 (1)

Stoich.:

AB2C5D18E28 (1)

Weight, g/mol:

705.39623

ΔHf, kcal/mol:

-212.9

Dipole, Da:

8.37

IP(EA), eV:

 -9.11(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-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

CN(C)S(=O)(=O)CCCN1CC[C@@H]([C@@](C1)(CC2=CC=CC=C2)C(=O)O)O

DOS

IR

Vibrations