Geometry & MOs

Info

ID:	69042
PubChem CID:	46516529
Reduced:	OS2F3N3H18C22 (1)
Stoich.:	AB2C3D3E18F22 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-101.12
Dipole, Da:	5.2
IP(EA), eV:	-9.1(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-carbonyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSCCNC(=O)CC2=CSC(=N2)C3=CC=C(C=C3)C(F)(F)F)C#N

DOS

IR

Vibrations