Geometry & MOs

Info

ID:

421649

PubChem CID:

135116375

Reduced:

NF2O2C15H19 (1)

Stoich.:

AB2C2D15E19 (1)

Weight, g/mol:

757.373387

ΔHf, kcal/mol:

-173.18

Dipole, Da:

3.9

IP(EA), eV:

-9.46(-0.87)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,10S,19S)-15-[(5-ethylpyridin-2-yl)methyl]-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

CCN(CC1CCCCO1)C(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations