Geometry & MOs

Info

ID:	277905
PubChem CID:	103831761
Reduced:	ON2S2C11H22 (1)
Stoich.:	AB2C2D11E22 (1)
Weight, g/mol:	230.199428
ΔH_f, kcal/mol:	-67.4
Dipole, Da:	2.34
IP(EA), eV:	-8.74(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCC1CSCCS1)N

DOS

IR

Vibrations