Geometry & MOs

Info

ID:	262088
PubChem CID:	103269401
Reduced:	BrSO2N3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	353.0375
ΔH_f, kcal/mol:	30.29
Dipole, Da:	9.44
IP(EA), eV:	-9.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-methyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])Br)NCC2=CSC(=N2)C

DOS

IR

Vibrations