Geometry & MOs

Info

ID:	363403
PubChem CID:	127310941
Reduced:	OS2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	6.0
IP(EA), eV:	-8.33(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanoanilino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)NCC2(CCCCC2)N3CCSCC3)C

DOS

IR

Vibrations