Geometry & MOs

Info

ID:

415511

PubChem CID:

135088507

Reduced:

SO2F3N5H12C13 (1)

Stoich.:

AB2C3D5E12F13 (1)

Weight, g/mol:

760.3479

ΔHf, kcal/mol:

-130.15

Dipole, Da:

5.39

IP(EA), eV:

 -9.26(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

CCC1=NN=C(O1)CNC(=O)C2=CC3=C(S2)N(N=C3C(F)(F)F)C

DOS

IR

Vibrations