Geometry & MOs

Info

ID:	292061
PubChem CID:	114193717
Reduced:	ISO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	274.171499
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	1.72
IP(EA), eV:	-9.27(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-1-hydroxy-4-methylpentan-2-yl)sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

C1COCCC1CCCCC(C2=CSC(=C2)I)O

DOS

IR

Vibrations