Geometry & MOs

Info

ID:	261807
PubChem CID:	103252295
Reduced:	ClSO2N3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-9.94
Dipole, Da:	4.86
IP(EA), eV:	-8.93(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-bromo-4-methoxyanilino)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CC(C1C(=O)O)NC2=C(C=CC3=NSN=C32)Cl

DOS

IR

Vibrations