Geometry & MOs

Info

ID:	342663
PubChem CID:	127265823
Reduced:	SO2F3N3H6C13 (1)
Stoich.:	AB2C3D3E6F13 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-120.93
Dipole, Da:	2.03
IP(EA), eV:	-10.2(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1-methylpyrazole-3-carbonyl)-propylamino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1C#N)C=CC2=CN=C(S2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations