Geometry & MOs

Info

ID:	346121
PubChem CID:	127270609
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-52.73
Dipole, Da:	3.11
IP(EA), eV:	-8.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(pyridin-3-ylamino)ethyl]thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)NCC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations