Geometry & MOs

Info

ID:	165257
PubChem CID:	74521985
Reduced:	S2O3N4C14H22 (1)
Stoich.:	A2B3C4D14E22 (1)
Weight, g/mol:	169.122855
ΔH_f, kcal/mol:	-97.67
Dipole, Da:	8.19
IP(EA), eV:	-9.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-methyl-2-propylhex-2-enoate

Drug info:

PubChemData

Smile

CCN(CC)C(=S)SCC(=O)C1C(N(C(=O)NC1=O)C2CC2)N

DOS

IR

Vibrations