Geometry & MOs

Info

ID:	368382
PubChem CID:	127328270
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	397.138151
ΔH_f, kcal/mol:	-130.46
Dipole, Da:	7.06
IP(EA), eV:	-8.78(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclohexylsulfinylmethyl)phenyl]-1,1-dioxothiane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3CCCN(C3)C(=O)N4CCCC4

DOS

IR

Vibrations