Geometry & MOs

Info

ID:	337823
PubChem CID:	127258446
Reduced:	NO4C15H27 (1)
Stoich.:	AB4C15D27 (1)
Weight, g/mol:	216.068097
ΔH_f, kcal/mol:	-208.93
Dipole, Da:	4.11
IP(EA), eV:	-9.06(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(thiatriazol-5-ylamino)ethyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC[C@H]1[C@@H]2CCCN2[C@H]([C@]1(C(C)C)O)O

DOS

IR

Vibrations