Geometry & MOs

Info

ID:	307870
PubChem CID:	125310160
Reduced:	ClSO3N4C13H13 (1)
Stoich.:	ABC3D4E13F13 (1)
Weight, g/mol:	232.096026
ΔH_f, kcal/mol:	-37.07
Dipole, Da:	5.51
IP(EA), eV:	-8.47(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(furan-2-yl)ethylideneamino]-5-methyl-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N=C(N=N1)SCC(=O)NC2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations