Geometry & MOs

Info

ID:	345344
PubChem CID:	127269644
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	397.18017
ΔH_f, kcal/mol:	-161.99
Dipole, Da:	4.79
IP(EA), eV:	-8.34(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)-4-[(4-fluorobenzoyl)amino]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)NCC3CCS(=O)(=O)C3)OC1

DOS

IR

Vibrations