Geometry & MOs

Info

ID:	276485
PubChem CID:	103823756
Reduced:	ClFN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-15.51
Dipole, Da:	1.64
IP(EA), eV:	-8.82(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-4-ynyl-3-propanoylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)NCC2=C(C=C(C=C2)F)Cl)C

DOS

IR

Vibrations