Geometry & MOs

Info

ID:	288507
PubChem CID:	104317890
Reduced:	NSO3C7H15 (1)
Stoich.:	ABC3D7E15 (1)
Weight, g/mol:	221.072179
ΔH_f, kcal/mol:	-153.29
Dipole, Da:	6.19
IP(EA), eV:	-9.18(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-formamido-3-(3-hydroxybutylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CC(CCSCC(C(=O)O)N)O

DOS

IR

Vibrations