Geometry & MOs

Info

ID:	261907
PubChem CID:	103258424
Reduced:	NSO3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	189.100108
ΔH_f, kcal/mol:	-89.3
Dipole, Da:	6.69
IP(EA), eV:	-9.12(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-(oxolan-3-ylamino)butanoic acid

Drug info:

PubChemData

Smile

C1COCC1NCC2=C(SC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations