Geometry & MOs

Info

ID:

414273

PubChem CID:

135087229

Reduced:

FO4N5C16H16 (1)

Stoich.:

AB4C5D16E16 (1)

Weight, g/mol:

715.405732

ΔHf, kcal/mol:

-82.55

Dipole, Da:

2.94

IP(EA), eV:

 -9.35(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,10R)-4-[(2S)-butan-2-yl]-7-[(4-methoxyphenyl)methyl]-10-methyl-17-(3-methyl-1-propylpyrazole-4-carbonyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN1C(=NC=N1)CCNC2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations