Geometry & MOs

Info

ID:	171459
PubChem CID:	75379519
Reduced:	BrOSN2C11H17 (1)
Stoich.:	ABCD2E11F17 (1)
Weight, g/mol:	339.084219
ΔH_f, kcal/mol:	-35.45
Dipole, Da:	1.98
IP(EA), eV:	-8.61(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-5-methoxy-2-nitroanilino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1NCC(C)(CSC)O)Br

DOS

IR

Vibrations