Geometry & MOs

Info

ID:	230494
PubChem CID:	87571069
Reduced:	BrClO2N3C15H21 (1)
Stoich.:	ABC2D3E15F21 (1)
Weight, g/mol:	433.97972
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	8.88
IP(EA), eV:	-8.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-1-[(2-iodoacetyl)amino]ethyl]amino]naphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C)CN(C(=O)O)C1(CC1)CNC2=CC(=C(N=C2)Cl)Br

DOS

IR

Vibrations