Geometry & MOs

Info

ID:	220989
PubChem CID:	85248139
Reduced:	SN3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	97.0
Dipole, Da:	7.19
IP(EA), eV:	-8.79(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclohexylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CN1CCCSC1=C(C#N)C2=CC=CC=C2C#N

DOS

IR

Vibrations