Geometry & MOs

Info

ID:

421337

PubChem CID:

135115798

Reduced:

ON2C5H6 (3)

Stoich.:

AB2C5D6 (3)

Weight, g/mol:

729.342087

ΔHf, kcal/mol:

-57.36

Dipole, Da:

5.61

IP(EA), eV:

 -9.05(-0.43)

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-(pyridin-3-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

CC1=CC2=C(C=C1)OC(=O)N2CCC(=O)NCCC3=NC(=NN3)N

DOS

IR

Vibrations