Geometry & MOs

Info

ID:	405474
PubChem CID:	135074125
Reduced:	ClSN2O2C17H19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-44.41
Dipole, Da:	7.12
IP(EA), eV:	-9.17(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-hydroxyoct-4-ynoate

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=CC=C1)Cl)C(=O)N=S(=O)(C)C2=CC=CC=N2

DOS

IR

Vibrations