Geometry & MOs

Info

ID:

162193

PubChem CID:

57393901

Reduced:

FNOC7H8 (3)

Stoich.:

ABCD7E8 (3)

Weight, g/mol:

597.366553

ΔHf, kcal/mol:

-216.45

Dipole, Da:

6.96

IP(EA), eV:

 -9.4(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,3S,6Z,7S,8S,11S,12S,14S,15R,16R)-15-[(2S,3R,6R)-3-acetyloxy-7-hydroxy-6-methyl-5-methylidene-4-oxoheptan-2-yl]-6-methoxyimino-7,12,16-trimethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-enyl] acetate

Drug info:

PubChemData

Smile

CC1=C(ON=C1NC(=O)N2CCC3(CC2)CC(C3)C4=CC(=CC=C4)OC(F)(F)F)C

DOS

IR

Vibrations