Geometry & MOs

Info

ID:	446422
PubChem CID:	135274853
Reduced:	O10C21H34 (1)
Stoich.:	A10B21C34 (1)
Weight, g/mol:	298.01782
ΔH_f, kcal/mol:	-453.34
Dipole, Da:	5.64
IP(EA), eV:	-9.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-iodoacetyl)amino]ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CC([C@@]1(/C=C/C(=C\C(=O)O)/C)O)(C)OC)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations