Geometry & MOs

Info

ID:	258559
PubChem CID:	103154954
Reduced:	Br2N2O4C13H16 (1)
Stoich.:	A2B2C4D13E16 (1)
Weight, g/mol:	301.109627
ΔH_f, kcal/mol:	-147.78
Dipole, Da:	5.83
IP(EA), eV:	-9.4(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(2-methyl-3-sulfamoylphenyl)butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=C(C=C(C=C1Br)Br)C(=O)OC)CN

DOS

IR

Vibrations