Geometry & MOs

Info

ID:	352007
PubChem CID:	127282925
Reduced:	S2N3O3C18H27 (1)
Stoich.:	A2B3C3D18E27 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-121.16
Dipole, Da:	5.01
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidocyclohexyl)-2-methylthiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NCC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations