Geometry & MOs

Info

ID:	145153
PubChem CID:	53471412
Reduced:	ON2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	397.148791
ΔH_f, kcal/mol:	27.03
Dipole, Da:	3.06
IP(EA), eV:	-8.95(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl (2S)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4-methylpentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CCC#N

DOS

IR

Vibrations