Geometry & MOs

Info

ID:	249552
PubChem CID:	103090421
Reduced:	NSO2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	217.11365
ΔH_f, kcal/mol:	-121.88
Dipole, Da:	5.29
IP(EA), eV:	-8.56(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl(4-methylsulfanylbutyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CCCCSC)CCC(=O)O

DOS

IR

Vibrations