Geometry & MOs

Info

ID:	68813
PubChem CID:	46509142
Reduced:	SN2O2C12H12 (2)
Stoich.:	AB2C2D12E12 (2)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-80.62
Dipole, Da:	4.13
IP(EA), eV:	-8.28(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(2,5-dimethylphenoxy)propanoylamino]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

DOS

IR

Vibrations