Geometry & MOs

Info

ID:	229199
PubChem CID:	87567164
Reduced:	ICl2O3N6H19C20 (1)
Stoich.:	AB2C3D6E19F20 (1)
Weight, g/mol:	265.098394
ΔH_f, kcal/mol:	-19.18
Dipole, Da:	2.44
IP(EA), eV:	-9.38(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-5-(2-methylprop-2-enoyloxy)pentane-2-sulfonic acid

Drug info:

PubChemData

Smile

CNC(=O)[C@@]12C[C@@H]1[C@@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)Cl)NCC5=C(C=CC(=C5)I)Cl

DOS

IR

Vibrations