Geometry & MOs

Info

ID:

423697

PubChem CID:

135120042

Reduced:

FON6C14H17 (1)

Stoich.:

ABC6D14E17 (1)

Weight, g/mol:

750.334559

ΔHf, kcal/mol:

2.72

Dipole, Da:

2.51

IP(EA), eV:

-8.72(-0.43)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-4-methyl-10-(2-methylsulfanylethyl)-19-propan-2-yl-15-(pyridin-2-ylmethyl)-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

COC1=NC(=NC=C1F)N2CCCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations