Geometry & MOs

Info

ID:	363309
PubChem CID:	127310726
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	381.244999
ΔH_f, kcal/mol:	-114.21
Dipole, Da:	4.84
IP(EA), eV:	-8.47(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetamido-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(=O)NCC2(CCCCC2)N3CCSCC3

DOS

IR

Vibrations