Geometry & MOs

Info

ID:

422123

PubChem CID:

135117251

Reduced:

FNO3C23H26 (1)

Stoich.:

ABC3D23E26 (1)

Weight, g/mol:

746.321017

ΔHf, kcal/mol:

-146.52

Dipole, Da:

3.89

IP(EA), eV:

 -9.16(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-15-(2-methylfuran-3-carbonyl)-19-(2-methylpropyl)-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

C1C[C@H]([C@]2(C1)CCCN(C2)C(=O)C3=CC(=CC=C3)OCC4=CC(=CC=C4)F)O

DOS

IR

Vibrations