Geometry & MOs

Info

ID:	385621
PubChem CID:	134979567
Reduced:	NSO3C17H27 (1)
Stoich.:	ABC3D17E27 (1)
Weight, g/mol:	140.156501
ΔH_f, kcal/mol:	-148.2
Dipole, Da:	9.16
IP(EA), eV:	-9.63(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,5S)-5,6,6-trimethylhept-3-ene

Drug info:

PubChemData

Smile

C[C@H](C=C(C)C)C(=O)N1C2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O

DOS

IR

Vibrations