Geometry & MOs

Info

ID:	177208
PubChem CID:	76147557
Reduced:	BrNSO5C14H14 (1)
Stoich.:	ABCD5E14F14 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-124.64
Dipole, Da:	4.86
IP(EA), eV:	-9.48(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CC1S(=O)(=O)CC2=CC=CO2)C(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations