Geometry & MOs

Info

ID:	312875
PubChem CID:	126609366
Reduced:	N6O9C37H70 (1)
Stoich.:	A6B9C37D70 (1)
Weight, g/mol:	396.178418
ΔH_f, kcal/mol:	-449.01
Dipole, Da:	2.38
IP(EA), eV:	-8.66(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-[[4-(2-ethoxycarbonylprop-2-enoyloxymethyl)cyclohexyl]methyl] 1-O-ethyl 2-methylidenepropanedioate

Drug info:

PubChemData

Smile

CC(C)COC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OCC(C)C)[C@H](CCC(=O)NN(C)C)C(=O)OCC(C)C)CC(=O)OCC(C)C

DOS

IR

Vibrations