Geometry & MOs

Info

ID:	43566
PubChem CID:	10321477
Reduced:	FSN3O6C20H20 (1)
Stoich.:	ABC3D6E20F20 (1)
Weight, g/mol:	449.204967
ΔH_f, kcal/mol:	-110.56
Dipole, Da:	3.17
IP(EA), eV:	-9.09(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-[[(2S)-3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2(C=CNN2C3=CC=C(C=C3)F)C(=O)CCCO[N+](=O)[O-]

DOS

IR

Vibrations