Geometry & MOs

Info

ID:	43439
PubChem CID:	10321297
Reduced:	FO2N3C27H28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	445.205181
ΔH_f, kcal/mol:	-58.07
Dipole, Da:	6.29
IP(EA), eV:	-8.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-4-[5-(5-cyclohexylpentanoyl)thiophen-2-yl]-2-ethylbutyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C3=C(C=C2)OCC(O3)CNC4CCC(CC4)C5=CNC6=C5C=C(C=C6)F

DOS

IR

Vibrations