Geometry & MOs

Info

ID:	153324
PubChem CID:	56312506
Reduced:	FN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	489.17337
ΔH_f, kcal/mol:	-70.07
Dipole, Da:	6.23
IP(EA), eV:	-9.27(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)COC2=CC=C(C=C2)C(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations