Geometry & MOs

Info

ID:	205491
PubChem CID:	80110676
Reduced:	BrSN3O3C11H16 (1)
Stoich.:	ABC3D3E11F16 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-106.79
Dipole, Da:	3.24
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-5-(2-imidazol-1-ylethylamino)-3-methylbenzoate

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)NC1=NC=C(S1)Br)C(=O)O

DOS

IR

Vibrations