Geometry & MOs

Info

ID:	149771
PubChem CID:	53789447
Reduced:	ClSN4C8H17 (1)
Stoich.:	ABC4D8E17 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-4.56
Dipole, Da:	4.75
IP(EA), eV:	-8.97(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-hex-5-ynoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)N=C(N=C(N)N)SCCCCl

DOS

IR

Vibrations