Geometry & MOs

Info

ID:

224848

PubChem CID:

85470612

Reduced:

OF2N4C10H10 (1)

Stoich.:

AB2C4D10E10 (1)

Weight, g/mol:

815.58711

ΔHf, kcal/mol:

-43.99

Dipole, Da:

4.22

IP(EA), eV:

-9.65(-1.42)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R,3S,4R,5S,8R,11R,12S,13R,14R)-13-[(2S,4S,5R,6S)-5-[(cyclopropylmethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-3,5,8,10,10,12,14-heptamethyl-1-oxa-7-azacyclopentadecan-15-one

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C(=C1)F)N=[N+]=[N-])F

DOS

IR

Vibrations