Geometry & MOs

Info

ID:	69003
PubChem CID:	46515102
Reduced:	N3O3C25H35 (1)
Stoich.:	A3B3C25D35 (1)
Weight, g/mol:	382.059898
ΔH_f, kcal/mol:	-124.24
Dipole, Da:	8.64
IP(EA), eV:	-8.69(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=CC=C2CN(C)C3CCCCC3)C

DOS

IR

Vibrations