Geometry & MOs

Info

ID:

421635

PubChem CID:

135116328

Reduced:

FN3O3C19H22 (1)

Stoich.:

AB3C3D19E22 (1)

Weight, g/mol:

774.363551

ΔHf, kcal/mol:

-26.91

Dipole, Da:

3.71

IP(EA), eV:

 -8.85(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-15-[3-(5-methylpyrazol-1-yl)propanoyl]-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

CC1=CC(=C2C=C(C=CC2=N1)F)N3C[C@H]4CN([C@@H](C3)COC4)CC(=O)O

DOS

IR

Vibrations