Geometry & MOs

Info

ID:	289708
PubChem CID:	104369112
Reduced:	SO2N3C7H7 (1)
Stoich.:	AB2C3D7E7 (1)
Weight, g/mol:	312.033346
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	6.6
IP(EA), eV:	-9.69(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazol-4-one

Drug info:

PubChemData

Smile

CC1(C(=O)N=C(O1)N)C2=NC=CS2

DOS

IR

Vibrations