Geometry & MOs

Info

ID:	363305
PubChem CID:	127310722
Reduced:	O2S2N3C19H29 (1)
Stoich.:	A2B2C3D19E29 (1)
Weight, g/mol:	395.260649
ΔH_f, kcal/mol:	-88.48
Dipole, Da:	2.9
IP(EA), eV:	-8.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropanoyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC=C(S1)C(=O)NCC2(CCCCC2)N3CCSCC3

DOS

IR

Vibrations