Geometry & MOs

Info

ID:	134203
PubChem CID:	51662199
Reduced:	S2N3O3C16H21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	367.102434
ΔH_f, kcal/mol:	-76.03
Dipole, Da:	4.73
IP(EA), eV:	-9.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-1-[(3R)-1,1-dioxothiolan-3-yl]-5-thiophen-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=NN(C(=C1)C2=CC=CS2)[C@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations