Geometry & MOs

Info

ID:	177209
PubChem CID:	76147558
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	375.088892
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	1.7
IP(EA), eV:	-9.4(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCC(C3)S(=O)(=O)CC4=CC=CO4

DOS

IR

Vibrations