Geometry & MOs

Info

ID:

47087

PubChem CID:

10529487

Reduced:

SN3O6C25H33 (1)

Stoich.:

AB3C6D25E33 (1)

Weight, g/mol:

503.278407

ΔHf, kcal/mol:

-153.42

Dipole, Da:

8.65

IP(EA), eV:

 -8.74(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@@]12CCC[N+]3([C@@H]1C4=C(CC3)C5=C(N4C(=C2)C(=O)OC)C=CC(=C5)S(=O)(=O)NCCCOC)[O-]

DOS

IR

Vibrations