Geometry & MOs

Info

ID:	20247
PubChem CID:	582803
Reduced:	N2O3F7C20H21 (1)
Stoich.:	A2B3C7D20E21 (1)
Weight, g/mol:	470.14404
ΔH_f, kcal/mol:	-466.33
Dipole, Da:	4.79
IP(EA), eV:	-8.73(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations