Geometry & MOs

Info

ID:	166985
PubChem CID:	74761452
Reduced:	SN4O6C23H32 (1)
Stoich.:	AB4C6D23E32 (1)
Weight, g/mol:	482.01472
ΔH_f, kcal/mol:	-204.9
Dipole, Da:	1.43
IP(EA), eV:	-9.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-(5-bromo-2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=C(ON=C2C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations