Geometry & MOs

Info

ID:	140787
PubChem CID:	52759806
Reduced:	SN4O5C16H24 (1)
Stoich.:	AB4C5D16E24 (1)
Weight, g/mol:	417.181919
ΔH_f, kcal/mol:	-197.34
Dipole, Da:	7.73
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R)-4-methyl-1-oxo-1-[(2-propoxypyridin-3-yl)methylamino]pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NC(=O)N

DOS

IR

Vibrations