Geometry & MOs

Info

ID:	252610
PubChem CID:	103112643
Reduced:	N3O4C13H25 (1)
Stoich.:	A3B4C13D25 (1)
Weight, g/mol:	317.104542
ΔH_f, kcal/mol:	-210.76
Dipole, Da:	7.05
IP(EA), eV:	-9.81(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)O)NC(=O)NC(C)C(=O)N(C)CC

DOS

IR

Vibrations