Geometry & MOs

Info

ID:	282260
PubChem CID:	103920313
Reduced:	NSO2C11H21 (1)
Stoich.:	ABC2D11E21 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-122.32
Dipole, Da:	4.58
IP(EA), eV:	-8.46(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-hydroxybutan-2-yl]-3-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)CC1CCSCC1

DOS

IR

Vibrations