Geometry & MOs

Info

ID:	298701
PubChem CID:	117654076
Reduced:	FN4O5H25C28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	507.225702
ΔH_f, kcal/mol:	-141.14
Dipole, Da:	5.48
IP(EA), eV:	-8.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-5-[hydroxy(diphenoxy)methyl]-6,6-dimethylheptyl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(CN(C(=O)C2=NN1)C3=CC=C(C=C3)N4CCCCC4=O)C5=C(C6=C(C=C5)OC=C6)F

DOS

IR

Vibrations