Geometry & MOs

Info

ID:	151118
PubChem CID:	53790816
Reduced:	SCl2N4O8H28C29 (1)
Stoich.:	AB2C4D8E28F29 (1)
Weight, g/mol:	126.06808
ΔH_f, kcal/mol:	-271.08
Dipole, Da:	11.18
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-5-ynyl formate

Drug info:

PubChemData

Smile

CCOC(=O)NC1(C2=C(C=CC(=C2)Cl)N(C1=O)S(=O)(=O)C3=C(C=C(C=C3)NC(=O)N4CCOCC4)OC)C5=CC=CC=C5Cl

DOS

IR

Vibrations