Geometry & MOs

Info

ID:	65472
PubChem CID:	38671827
Reduced:	SO4N5H17C21 (1)
Stoich.:	AB4C5D17E21 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	0.21
Dipole, Da:	5.81
IP(EA), eV:	-9.1(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-oxo-1-[3-(pyridin-2-ylmethoxy)anilino]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC1N2C=C(C(=O)N(C2=O)CC(=O)N3[C@H](CC(=N3)C4=CC=CS4)C5=CC=CO5)C#N

DOS

IR

Vibrations