Geometry & MOs

Info

ID:	270059
PubChem CID:	103624377
Reduced:	ClSO2N3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	341.98155
ΔH_f, kcal/mol:	-73.66
Dipole, Da:	4.51
IP(EA), eV:	-9.03(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-fluorophenyl)methyl]-2-fluoro-4-nitroaniline

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC2=NC(=C(S2)C(=O)OC)Cl

DOS

IR

Vibrations