Geometry & MOs

Info

ID:	315400
PubChem CID:	126625875
Reduced:	F2O2N5C29H39 (1)
Stoich.:	A2B2C5D29E39 (1)
Weight, g/mol:	347.194402
ΔH_f, kcal/mol:	-117.83
Dipole, Da:	5.1
IP(EA), eV:	-8.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-ethoxycarbonyloxy-2-(methylcarbamoyloxy)propyl] 2,2,3,3-tetramethylbutanoate

Drug info:

PubChemData

Smile

C[C@@H](COC)N/C(=N\C1CC(NN1)(C2CCCCCCC2)C3=CC=C(C=C3)F)/NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations