Geometry & MOs

Info

ID:	53459
PubChem CID:	14716122
Reduced:	F4O5C34H38 (1)
Stoich.:	A4B5C34D38 (1)
Weight, g/mol:	148.055801
ΔH_f, kcal/mol:	-365.21
Dipole, Da:	7.35
IP(EA), eV:	-9.04(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-sulfanylpentanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)C(=O)OC(C)CC)F)F

DOS

IR

Vibrations