Geometry & MOs

Info

ID:	29164
PubChem CID:	832082
Reduced:	ClSN2O3H11C12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	265.081104
ΔH_f, kcal/mol:	-101.12
Dipole, Da:	4.85
IP(EA), eV:	-9.38(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)SC(=N2)NC(=O)CCCC(=O)O

DOS

IR

Vibrations