Geometry & MOs

Info

ID:	347354
PubChem CID:	127272203
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	391.102434
ΔH_f, kcal/mol:	-43.28
Dipole, Da:	3.84
IP(EA), eV:	-9.48(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CS2)C(=O)NC3CCN(CC3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations