Geometry & MOs

Info

ID:	134201
PubChem CID:	51662151
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	367.102434
ΔH_f, kcal/mol:	-9.21
Dipole, Da:	6.68
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)COC2=CC=CC=C2C3=NOC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations