Geometry & MOs

Info

ID:	213166
PubChem CID:	81063110
Reduced:	SN3O3C11H17 (1)
Stoich.:	AB3C3D11E17 (1)
Weight, g/mol:	212.09094
ΔH_f, kcal/mol:	-102.3
Dipole, Da:	3.93
IP(EA), eV:	-9.94(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(SN=N1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations