Geometry & MOs

Info

ID:	177210
PubChem CID:	76147559
Reduced:	SN3O5C17H17 (1)
Stoich.:	AB3C5D17E17 (1)
Weight, g/mol:	415.120192
ΔH_f, kcal/mol:	-90.42
Dipole, Da:	4.42
IP(EA), eV:	-9.35(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1S(=O)(=O)CC2=CC=CO2)C(=O)C3=NNC(=C3)C4=CC=CO4

DOS

IR

Vibrations