Geometry & MOs

Info

ID:	25918
PubChem CID:	633758
Reduced:	SN2O8H12C16 (1)
Stoich.:	AB2C8D12E16 (1)
Weight, g/mol:	505.221411
ΔH_f, kcal/mol:	-125.4
Dipole, Da:	5.83
IP(EA), eV:	-9.51(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-tributylstannylbut-3-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations