Geometry & MOs

Info

ID:	62595
PubChem CID:	26725217
Reduced:	ClS2N3O6C19H20 (1)
Stoich.:	AB2C3D6E19F20 (1)
Weight, g/mol:	450.083176
ΔH_f, kcal/mol:	-183.6
Dipole, Da:	7.26
IP(EA), eV:	-9.05(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3R)-1,1-dioxothiolane-3-carbonyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations