Geometry & MOs

Info

ID:	274662
PubChem CID:	103810923
Reduced:	ON2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	232.088164
ΔH_f, kcal/mol:	-80.98
Dipole, Da:	3.03
IP(EA), eV:	-9.59(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-aminocyclopropyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1(CCC1)CNC(=O)[C@H](CC(C)C)N

DOS

IR

Vibrations