Geometry & MOs

Info

ID:	413374
PubChem CID:	135086323
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	300.136568
ΔH_f, kcal/mol:	-40.41
Dipole, Da:	3.91
IP(EA), eV:	-9.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCO)C/C=C/C#C

DOS

IR

Vibrations