Geometry & MOs

Info

ID:

419308

PubChem CID:

135107962

Reduced:

F3N4C11H15 (1)

Stoich.:

A3B4C11D15 (1)

Weight, g/mol:

700.358448

ΔHf, kcal/mol:

-123.16

Dipole, Da:

2.88

IP(EA), eV:

 -8.91(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,10R)-4-[(2S)-butan-2-yl]-7-[(4-methoxyphenyl)methyl]-17-(2-methoxypyridine-4-carbonyl)-10-methyl-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)N2CCN(CC2)CC(F)(F)F

DOS

IR

Vibrations