Geometry & MOs

Info

ID:	64478
PubChem CID:	29201404
Reduced:	FSN2O3H11C16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	358.12772
ΔH_f, kcal/mol:	-34.54
Dipole, Da:	7.0
IP(EA), eV:	-9.27(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-3-nitrophenyl)-4-(4-nitroanilino)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations