Geometry & MOs

Info

ID:	251782
PubChem CID:	103106886
Reduced:	N2S2O5C11H16 (1)
Stoich.:	A2B2C5D11E16 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-181.65
Dipole, Da:	4.88
IP(EA), eV:	-9.42(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NS(=O)(=O)C1=CC=C(S1)C(=O)O

DOS

IR

Vibrations