Geometry & MOs

Info

ID:	345358
PubChem CID:	127269658
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-48.59
Dipole, Da:	0.92
IP(EA), eV:	-8.23(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CC(=C2)CNC(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations