Geometry & MOs

Info

ID:	32738
PubChem CID:	7847617
Reduced:	BrNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-12.53
Dipole, Da:	2.94
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)COC3=CC=CC=C3Br

DOS

IR

Vibrations