Geometry & MOs

Info

ID:

417158

PubChem CID:

135091548

Reduced:

F2N2O3C18H24 (1)

Stoich.:

A2B2C3D18E24 (1)

Weight, g/mol:

627.283903

ΔHf, kcal/mol:

-219.17

Dipole, Da:

2.43

IP(EA), eV:

 -8.96(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-15-acetyl-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

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC=C(C=C3)OC(F)F)CO

DOS

IR

Vibrations