Geometry & MOs

Info

ID:	347369
PubChem CID:	127272218
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	399.209282
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	5.0
IP(EA), eV:	-8.62(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CS2)C(=O)NCC3=CC(=NC=C3)N4CCOCC4

DOS

IR

Vibrations