Geometry & MOs

Info

ID:	145857
PubChem CID:	53603634
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	331.072369
ΔH_f, kcal/mol:	-43.59
Dipole, Da:	3.22
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[(3-chlorophenyl)-cyanomethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)SC1=CC=CC=C1C(=O)NCCCC(=O)NC2=CNN=C2

DOS

IR

Vibrations