Geometry & MOs

Info

ID:	373849
PubChem CID:	131320621
Reduced:	NSBr2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	46.73
Dipole, Da:	1.37
IP(EA), eV:	-9.44(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-[carbamoyl(methyl)amino]benzoate

Drug info:

PubChemData

Smile

C/C=C/C(C1=CC(=C(S1)Br)Br)N

DOS

IR

Vibrations