Geometry & MOs

Info

ID:	131351
PubChem CID:	51194415
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	364.084141
ΔH_f, kcal/mol:	-91.4
Dipole, Da:	10.0
IP(EA), eV:	-9.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations