Geometry & MOs

Info

ID:	123472
PubChem CID:	50849217
Reduced:	NSO4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	385.92245
ΔH_f, kcal/mol:	-156.55
Dipole, Da:	4.85
IP(EA), eV:	-9.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-bromo-5-methoxy-1,3-benzoxazol-2-yl)-2,6-dichloroaniline

Drug info:

PubChemData

Smile

CCCN(C1=CC=C(C=C1)C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations