Geometry & MOs

Info

ID:	366158
PubChem CID:	127319567
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	395.111519
ΔH_f, kcal/mol:	-75.11
Dipole, Da:	4.0
IP(EA), eV:	-9.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-N-(1,1-dioxothian-3-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations