Geometry & MOs

Info

ID:	176552
PubChem CID:	76066027
Reduced:	Br2N3O5H19C21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	481.188272
ΔH_f, kcal/mol:	-92.8
Dipole, Da:	10.25
IP(EA), eV:	-9.04(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-6-(prop-2-enoxycarbonylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C(=C1)Br)OC2=CC(=C(C=C2)O)CC3C=CC(=O)N=N3)Br)(C(=O)O)N

DOS

IR

Vibrations