Geometry & MOs

Info

ID:

417276

PubChem CID:

135091903

Reduced:

NF2O5H11C14 (1)

Stoich.:

AB2C5D11E14 (1)

Weight, g/mol:

674.342798

ΔHf, kcal/mol:

-244.93

Dipole, Da:

8.65

IP(EA), eV:

 -10.34(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)C3=C(C(=CC=C3)F)F)C(=O)O)C(=O)O

DOS

IR

Vibrations