Geometry & MOs

Info

ID:	359760
PubChem CID:	127299707
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	386.187543
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	3.71
IP(EA), eV:	-8.38(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1,1-dioxothiolan-3-yl)-1-N-(oxan-2-ylmethyl)cyclohexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

COCCN1CCCN(CC1)C(=O)CCC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations