Geometry & MOs

Info

ID:

421580

PubChem CID:

135116256

Reduced:

NO6C16H17 (1)

Stoich.:

AB6C16D17 (1)

Weight, g/mol:

728.320348

ΔHf, kcal/mol:

-208.32

Dipole, Da:

5.75

IP(EA), eV:

 -9.16(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-[5-(3,4-dimethyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-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

CC1=CC(=C(C=C1)OC)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations