Geometry & MOs

Info

ID:	38089
PubChem CID:	8026938
Reduced:	ClSN4O4C15H17 (1)
Stoich.:	ABC4D4E15F17 (1)
Weight, g/mol:	328.06147
ΔH_f, kcal/mol:	-104.69
Dipole, Da:	4.51
IP(EA), eV:	-9.33(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=NNC(=O)C=C2)Cl

DOS

IR

Vibrations