Geometry & MOs

Info

ID:	201904
PubChem CID:	79601964
Reduced:	BrNS2O3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	5.95
IP(EA), eV:	-8.55(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(7-methyl-1,3-benzoxazol-2-yl)ethanol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(S2)Br)O

DOS

IR

Vibrations