Geometry & MOs

Info

ID:

415217

PubChem CID:

135088209

Reduced:

FNSO3C18H18 (1)

Stoich.:

ABCD3E18F18 (1)

Weight, g/mol:

684.363533

ΔHf, kcal/mol:

-128.93

Dipole, Da:

5.61

IP(EA), eV:

 -9.14(-0.6)

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-(2-methylpyridine-3-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

C1COC2(CCN(CC2)C(=O)C3=C(C=CC(=C3)O)F)C4=C1C=CS4

DOS

IR

Vibrations