Geometry & MOs

Info

ID:	401218
PubChem CID:	135050590
Reduced:	BrClNOSC31H39 (1)
Stoich.:	ABCDEF31G39 (1)
Weight, g/mol:	504.273781
ΔH_f, kcal/mol:	-12.6
Dipole, Da:	3.42
IP(EA), eV:	-8.45(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCC[C@@]([C@@H](C1=CC=CC=C1)NC2=CC=C(C=C2)Br)([S@@](=O)C3=CC=C(C=C3)C)Cl

DOS

IR

Vibrations