Geometry & MOs

Info

ID:	135632
PubChem CID:	51906808
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	404.154764
ΔH_f, kcal/mol:	-128.19
Dipole, Da:	1.08
IP(EA), eV:	-8.78(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@H](C(C)C)C(=O)N(C)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations