Geometry & MOs

Info

ID:	399860
PubChem CID:	135043279
Reduced:	NSO2C10H15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	254.134051
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	1.75
IP(EA), eV:	-9.13(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(7-hydroxyhept-1-ynylsulfanyl)hept-6-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1N2[C@H](CS1)C(=O)CC2=O

DOS

IR

Vibrations