Geometry & MOs

Info

ID:	174758
PubChem CID:	75811868
Reduced:	O3N4C23H38 (1)
Stoich.:	A3B4C23D38 (1)
Weight, g/mol:	458.106706
ΔH_f, kcal/mol:	-118.25
Dipole, Da:	3.36
IP(EA), eV:	-8.18(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chlorophenyl)propyl]-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCCNC(=O)N2CCCC2C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations