Geometry & MOs

Info

ID:	199309
PubChem CID:	79228711
Reduced:	NSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	-45.57
Dipole, Da:	4.81
IP(EA), eV:	-8.47(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1CC1N(CC2CC3=CC=CC=C3S2)CC(=O)O

DOS

IR

Vibrations