Geometry & MOs

Info

ID:	262002
PubChem CID:	103265759
Reduced:	NSO2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	217.11365
ΔH_f, kcal/mol:	-56.62
Dipole, Da:	8.34
IP(EA), eV:	-9.38(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylsulfanylbutan-2-ylamino)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CCC1=CC=CC=C1)NCC2=CC=C(S2)C(=O)O

DOS

IR

Vibrations