Geometry & MOs

Info

ID:	245342
PubChem CID:	99443647
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	421.090784
ΔH_f, kcal/mol:	-129.76
Dipole, Da:	2.66
IP(EA), eV:	-8.91(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3,4-difluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CNC(=O)CNC(=O)NCC2=CC=CC=C2)OC

DOS

IR

Vibrations