Geometry & MOs

Info

ID:	258898
PubChem CID:	103157379
Reduced:	SN3O4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	271.128054
ΔH_f, kcal/mol:	-147.66
Dipole, Da:	8.91
IP(EA), eV:	-9.96(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(2-aminoethyl)triazole-4-carbonyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CSC(=N1)CCN

DOS

IR

Vibrations