Geometry & MOs

Info

ID:	261793
PubChem CID:	103251393
Reduced:	NSO5C9H17 (1)
Stoich.:	ABC5D9E17 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-223.44
Dipole, Da:	7.11
IP(EA), eV:	-9.8(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-cyclopentyloxyethylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)NC1CCCS(=O)(=O)C1

DOS

IR

Vibrations