Geometry & MOs

Info

ID:	432083
PubChem CID:	135172215
Reduced:	SO5C8H10 (1)
Stoich.:	AB5C8D10 (1)
Weight, g/mol:	257.181336
ΔH_f, kcal/mol:	-217.3
Dipole, Da:	4.79
IP(EA), eV:	-10.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(butylsulfanylmethyl)-N-(5-methyl-3-methylidenehexyl)formamide

Drug info:

PubChemData

Smile

COC(=O)C1CSC(=O)C1CC(=O)O

DOS

IR

Vibrations