Geometry & MOs

Info

ID:

414675

PubChem CID:

135087634

Reduced:

NF2O4C18H25 (1)

Stoich.:

AB2C4D18E25 (1)

Weight, g/mol:

670.347883

ΔHf, kcal/mol:

-262.6

Dipole, Da:

5.59

IP(EA), eV:

 -8.88(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=C(C=CC(=C3F)F)OC)O

DOS

IR

Vibrations