Geometry & MOs

Info

ID:	282254
PubChem CID:	103920134
Reduced:	NSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	242.082205
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	3.18
IP(EA), eV:	-9.03(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-6-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)C1CCCS1

DOS

IR

Vibrations