Geometry & MOs

Info

ID:	140924
PubChem CID:	52784728
Reduced:	NO2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	404.191149
ΔH_f, kcal/mol:	-32.26
Dipole, Da:	4.98
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)[C@H](C)NC(=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations