Geometry & MOs

Info

ID:	176863
PubChem CID:	76106175
Reduced:	SN3O3C16H17 (2)
Stoich.:	AB3C3D16E17 (2)
Weight, g/mol:	494.226866
ΔH_f, kcal/mol:	-139.65
Dipole, Da:	12.6
IP(EA), eV:	-8.27(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoropentyl 4-[4-[4-(2-fluoropentoxycarbonyl)phenyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N(C1=NNC(=S)S1)C(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)NC(=O)OCC4=CC=CC=C4)N

DOS

IR

Vibrations