Geometry & MOs

Info

ID:	240808
PubChem CID:	93617651
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-57.85
Dipole, Da:	3.29
IP(EA), eV:	-8.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1,1-dioxothiolan-3-yl]-4-(3-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1OCC(=C2)C(=O)N[C@H](C)C3=CC=CC=N3

DOS

IR

Vibrations