Geometry & MOs

Info

ID:	314095
PubChem CID:	126620392
Reduced:	ClSO2N5C17H18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	374.168208
ΔH_f, kcal/mol:	12.37
Dipole, Da:	3.74
IP(EA), eV:	-8.75(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-[4-[2-[5-(3-fluorophenyl)furan-2-yl]propyl]phenyl]furan

Drug info:

PubChemData

Smile

CC(C)COC(=O)CSC1=NNC(=N1)C2=CN(N=C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations