Geometry & MOs

Info

ID:	147552
PubChem CID:	53787208
Reduced:	S2N4O6C15H20 (1)
Stoich.:	A2B4C6D15E20 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-117.22
Dipole, Da:	4.8
IP(EA), eV:	-9.25(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-tert-butyl-N-pyridin-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(N=CSC1CCCN1C(=O)OCC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C

DOS

IR

Vibrations