Geometry & MOs

Info

ID:

437149

PubChem CID:

135215308

Reduced:

NOF2C10H10 (2)

Stoich.:

ABC2D10E10 (2)

Weight, g/mol:

732.482586

ΔHf, kcal/mol:

-225.48

Dipole, Da:

3.56

IP(EA), eV:

 -8.89(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(1R,2R,5R,10S,11R,14S,19S,20R)-20-[[cyclopropylmethyl-(2-methoxyacetyl)amino]methyl]-20-hydroxy-1,2,6,6,10-pentamethyl-17-oxo-16-propan-2-yl-7-pentacyclo[12.9.0.02,11.05,10.015,19]tricosa-7,15-dienyl]triazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2(C(=O)N(C(=N2)C)C)C3=CC(C(C(=C3)F)F)F)OC(C)F

DOS

IR

Vibrations