Geometry & MOs

Info

ID:	203845
PubChem CID:	79880841
Reduced:	BrF2N2O3H11C13 (1)
Stoich.:	AB2C2D3E11F13 (1)
Weight, g/mol:	309.973439
ΔH_f, kcal/mol:	-145.46
Dipole, Da:	3.53
IP(EA), eV:	-9.44(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)sulfanyl-1,3-benzoxazol-6-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)COC2=C(C=C(C=C2F)C(=O)O)F)C

DOS

IR

Vibrations