Geometry & MOs

Info

ID:	244735
PubChem CID:	99381252
Reduced:	SF3N4O4H17C20 (1)
Stoich.:	AB3C4D4E17F20 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-289.36
Dipole, Da:	7.21
IP(EA), eV:	-9.41(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-butanoyl-N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCC(=O)N)NC(=O)C[C@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

DOS

IR

Vibrations