Geometry & MOs

Info

ID:

439436

PubChem CID:

135229210

Reduced:

N2O3C21H30 (1)

Stoich.:

A2B3C21D30 (1)

Weight, g/mol:

588.425071

ΔHf, kcal/mol:

-105.41

Dipole, Da:

2.17

IP(EA), eV:

 -8.21(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5R)-3-methoxy-5-methyl-4-[methyl-[2-(3-methylbutanoylamino)acetyl]amino]-N-[(3S)-3-methyl-4-oxo-4-(2-phenylethylamino)butyl]-N-propylheptanamide

Drug info:

PubChemData

Smile

CC[C@@]1(C[C@@H]2C[C@H](C3=C(CCN(C2)C1)C4C=CC=CC4N3)C(=O)OC)O

DOS

IR

Vibrations