Geometry & MOs

Info

ID:

418697

PubChem CID:

135106578

Reduced:

FSN2O5C15H21 (1)

Stoich.:

ABC2D5E15F21 (1)

Weight, g/mol:

695.343132

ΔHf, kcal/mol:

-237.7

Dipole, Da:

6.16

IP(EA), eV:

 -9.03(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CC2=CC(=C(C=C2)O)F

DOS

IR

Vibrations