Geometry & MOs

Info

ID:	274828
PubChem CID:	103811891
Reduced:	SN2O3C11H22 (1)
Stoich.:	AB2C3D11E22 (1)
Weight, g/mol:	258.230728
ΔH_f, kcal/mol:	-157.78
Dipole, Da:	3.81
IP(EA), eV:	-9.84(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-N-(2-hydroxy-4,4-dimethylpentyl)heptanamide

Drug info:

PubChemData

Smile

CC1CS(=O)(=O)CCN1C(=O)[C@H](CC(C)C)N

DOS

IR

Vibrations