Geometry & MOs

Info

ID:	203041
PubChem CID:	79767316
Reduced:	BrSN2O2C9H11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	296.9749
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	7.31
IP(EA), eV:	-8.41(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-nitro-N-(1,3-oxazol-5-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC(=C(C=C2)Br)N

DOS

IR

Vibrations