Geometry & MOs

Info

ID:	284977
PubChem CID:	104087199
Reduced:	NSO3C15H29 (1)
Stoich.:	ABC3D15E29 (1)
Weight, g/mol:	220.124549
ΔH_f, kcal/mol:	-157.41
Dipole, Da:	1.2
IP(EA), eV:	-8.87(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxypropan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(CCCCSC(C)CO)NC1CC1

DOS

IR

Vibrations