Geometry & MOs

Info

ID:

422596

PubChem CID:

135118106

Reduced:

OF3N3C14H16 (1)

Stoich.:

AB3C3D14E16 (1)

Weight, g/mol:

693.310867

ΔHf, kcal/mol:

-157.22

Dipole, Da:

4.75

IP(EA), eV:

 -9.26(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(3-fluorophenyl)methyl]-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

C1=CC(=CC(=C1)C(F)(F)F)CN(CCO)CC2=NC=CN2

DOS

IR

Vibrations