Geometry & MOs

Info

ID:	228934
PubChem CID:	87566271
Reduced:	ClFSN3O4C25H29 (1)
Stoich.:	ABCD3E4F25G29 (1)
Weight, g/mol:	473.189689
ΔH_f, kcal/mol:	-153.03
Dipole, Da:	3.88
IP(EA), eV:	-9.1(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]-N-hydroxybutanamide

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=CN(N=C2)CC(=O)OC)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations