Geometry & MOs

Info

ID:	413878
PubChem CID:	135086829
Reduced:	NSO2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	254.167065
ΔH_f, kcal/mol:	33.88
Dipole, Da:	6.87
IP(EA), eV:	-8.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3,5-dimethylphenyl)dec-6-en-1-yn-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)C#CC2=CC=CC=C2C=C

DOS

IR

Vibrations