Geometry & MOs

Info

ID:	150395
PubChem CID:	53790084
Reduced:	NSO2C8H8 (2)
Stoich.:	ABC2D8E8 (2)
Weight, g/mol:	424.241373
ΔH_f, kcal/mol:	-116.57
Dipole, Da:	6.37
IP(EA), eV:	-8.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl) 4-[3-(4-pentylcyclohexyl)prop-2-enoxy]benzoate

Drug info:

PubChemData

Smile

CC(=CCCC(=O)NC1=CC=CC=C1C(=O)O)C2=C(NC(=S)S2)O

DOS

IR

Vibrations