Geometry & MOs

Info

ID:	274409
PubChem CID:	103809094
Reduced:	SN3O3C12H19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	291.161663
ΔH_f, kcal/mol:	-107.49
Dipole, Da:	7.01
IP(EA), eV:	-8.78(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCCNC(=O)CNC1=CC=CC=C1

DOS

IR

Vibrations