Geometry & MOs

Info

ID:	406317
PubChem CID:	135077240
Reduced:	NSO2H23C25 (1)
Stoich.:	ABC2D23E25 (1)
Weight, g/mol:	282.219495
ΔH_f, kcal/mol:	58.76
Dipole, Da:	5.52
IP(EA), eV:	-9.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxypentadec-8-yn-7-yl acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CC2=CC=CC=C2)[C@@H](C=C)C3=CC=CC=C3

DOS

IR

Vibrations