Geometry & MOs

Info

ID:	266684
PubChem CID:	103579092
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	229.077265
ΔH_f, kcal/mol:	0.89
Dipole, Da:	3.33
IP(EA), eV:	-9.8(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-pent-1-yn-3-ylthiolane-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CC1CCC=C1

DOS

IR

Vibrations