Geometry & MOs

Info

ID:

423548

PubChem CID:

135119712

Reduced:

OF3N3C20H22 (1)

Stoich.:

AB3C3D20E22 (1)

Weight, g/mol:

639.374432

ΔHf, kcal/mol:

-178.72

Dipole, Da:

2.72

IP(EA), eV:

 -9.17(-1.12)

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-(2-methylpyrazol-3-yl)propanoyl]-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=N1)C(F)(F)F)N3CCC4(CCC(=O)NC4)CC3

DOS

IR

Vibrations