Geometry & MOs

Info

ID:	220736
PubChem CID:	85230826
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	-84.59
Dipole, Da:	3.14
IP(EA), eV:	-9.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-(4-methylpent-3-enylamino)pentanoate

Drug info:

PubChemData

Smile

CCCC(C1=NC=CS1)OC(=O)CCC

DOS

IR

Vibrations