Geometry & MOs

Info

ID:	242650
PubChem CID:	97857750
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	293.083413
ΔH_f, kcal/mol:	-96.29
Dipole, Da:	6.1
IP(EA), eV:	-8.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2S)-2-thiophen-2-ylpropanoyl]amino]-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3CCCC3=O)O

DOS

IR

Vibrations