Geometry & MOs

Info

ID:	330246
PubChem CID:	127247233
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-55.04
Dipole, Da:	2.71
IP(EA), eV:	-9.71(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2H-chromen-3-ylmethyl)pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)C(=O)C3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations