Geometry & MOs

Info

ID:	139059
PubChem CID:	52467145
Reduced:	ClNOC20H22 (1)
Stoich.:	ABCD20E22 (1)
Weight, g/mol:	355.080219
ΔH_f, kcal/mol:	-3.39
Dipole, Da:	3.89
IP(EA), eV:	-9.41(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C[C@H](C1CC1)N(CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations