Geometry & MOs

Info

ID:	58317
PubChem CID:	24697778
Reduced:	FON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	176.087101
ΔH_f, kcal/mol:	-11.11
Dipole, Da:	4.99
IP(EA), eV:	-9.14(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CCC#N)C(=O)NC2=CC=CC=C2F

DOS

IR

Vibrations