Geometry & MOs

Info

ID:	185624
PubChem CID:	77321739
Reduced:	NSO6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	406.192629
ΔH_f, kcal/mol:	-162.26
Dipole, Da:	6.3
IP(EA), eV:	-9.56(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1,2-dioxoheptan-3-yl)-1-(benzenesulfinylmethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1(CCCN1O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations