Geometry & MOs

Info

ID:

423186

PubChem CID:

135119063

Reduced:

SF2N4O4C13H20 (1)

Stoich.:

AB2C4D4E13F20 (1)

Weight, g/mol:

715.315203

ΔHf, kcal/mol:

-232.97

Dipole, Da:

5.83

IP(EA), eV:

 -9.87(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-15-(1-benzofuran-2-ylmethyl)-19-benzyl-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(F)F)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations