Geometry & MOs

Info

ID:	137371
PubChem CID:	52200086
Reduced:	FO2N3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	337.089641
ΔH_f, kcal/mol:	-125.62
Dipole, Da:	4.52
IP(EA), eV:	-8.61(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)CCCNC(=O)NC2=C(C=C(C=C2)F)OC

DOS

IR

Vibrations