Geometry & MOs

Info

ID:	192136
PubChem CID:	78233382
Reduced:	SF2O3N5H20C22 (1)
Stoich.:	AB2C3D5E20F22 (1)
Weight, g/mol:	358.162746
ΔH_f, kcal/mol:	-121.26
Dipole, Da:	3.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.888934
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-3-[4-(4-fluorophenyl)-5-methylpyrazolidin-3-yl]thiourea

Drug info:

PubChemData

Smile

CN1C2=NC(=[N+](C2C(=O)N(C1=O)C)CC3=CC=C(C=C3)F)SCC(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations