Geometry & MOs

Info

ID:	69889
PubChem CID:	47205695
Reduced:	SN2O4C12H12 (1)
Stoich.:	AB2C4D12E12 (1)
Weight, g/mol:	298.03169
ΔH_f, kcal/mol:	-90.23
Dipole, Da:	4.66
IP(EA), eV:	-10.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromoanilino)-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)S(=O)(=O)N

DOS

IR

Vibrations