Geometry & MOs

Info

ID:	144669
PubChem CID:	53395517
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	318.065887
ΔH_f, kcal/mol:	-17.96
Dipole, Da:	5.11
IP(EA), eV:	-9.46(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-[5-(3-chloro-3-oxoprop-1-enyl)furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C=CS(=O)(=O)C2=CC=CC=C2)N

DOS

IR

Vibrations