Geometry & MOs

Info

ID:

422455

PubChem CID:

135117865

Reduced:

FN3O4C16H18 (1)

Stoich.:

AB3C4D16E18 (1)

Weight, g/mol:

782.324388

ΔHf, kcal/mol:

-123.17

Dipole, Da:

3.6

IP(EA), eV:

 -8.97(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-15-(5-ethyl-1,3-oxazole-4-carbonyl)-4-methyl-10-(2-methylsulfanylethyl)-19-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

CN1CCN(CC1)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations