Geometry & MOs

Info

ID:	365732
PubChem CID:	127318457
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-48.82
Dipole, Da:	2.92
IP(EA), eV:	-8.76(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCN(CC3)C

DOS

IR

Vibrations