Geometry & MOs

Info

ID:

440838

PubChem CID:

135231774

Reduced:

FO2N4H25C27 (1)

Stoich.:

AB2C4D25E27 (1)

Weight, g/mol:

494.346821

ΔHf, kcal/mol:

61.28

Dipole, Da:

8.53

IP(EA), eV:

 -8.11(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N-[3-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CCC/C=C/N1/C(=C(\C)/C#C)/CC2=C(N=NN2C3=C1C=CC(=C3)OC)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations