Geometry & MOs

Info

ID:	387937
PubChem CID:	134987468
Reduced:	NSO2F3C7H10 (1)
Stoich.:	ABC2D3E7F10 (1)
Weight, g/mol:	199.099714
ΔH_f, kcal/mol:	-186.79
Dipole, Da:	3.65
IP(EA), eV:	-9.95(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-3-enyl-N-ethynylbenzamide

Drug info:

PubChemData

Smile

CCCCN(C#C)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations