Geometry & MOs

Info

ID:	229514
PubChem CID:	87567901
Reduced:	ClFSO3N4C22H26 (1)
Stoich.:	ABCD3E4F22G26 (1)
Weight, g/mol:	444.16314
ΔH_f, kcal/mol:	-69.01
Dipole, Da:	0.93
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]-N-hydroxyacetamide

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=NN(C=C4)CC(=O)NO)/C3)S.Cl

DOS

IR

Vibrations