Geometry & MOs

Info

ID:	46989
PubChem CID:	10528778
Reduced:	Br2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	483.215931
ΔH_f, kcal/mol:	-46.64
Dipole, Da:	3.2
IP(EA), eV:	-9.49(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-N-(tributylstannylmethyl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@@H]2[C@@H](C2(Br)Br)O1)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations