Geometry & MOs

Info

ID:

132613

PubChem CID:

51386587

Reduced:

SN2O2H15C19 (1)

Stoich.:

AB2C2D15E19 (1)

Weight, g/mol:

447.357326

ΔHf, kcal/mol:

39.46

Dipole, Da:

4.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.288046

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-7-butyl-N-[(1S)-1-cyclohexylethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)NC(=N[C@H]2C4=CC5=C(C=C4)OCO5)[S-]

DOS

IR

Vibrations