Geometry & MOs

Info

ID:

44789

PubChem CID:

10505957

Reduced:

N3O4C31H35 (1)

Stoich.:

A3B4C31D35 (1)

Weight, g/mol:

513.324294

ΔHf, kcal/mol:

-84.88

Dipole, Da:

9.61

IP(EA), eV:

 -9.28(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S)-2-[(2-methylphenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]-1-phenylpropyl] (E)-3-hydroxy-2-methylhex-4-enoate

Drug info:

PubChemData

Smile

COCCOCO[C@@H]1[C@H](NC(=O)N([C@@H]1CC2=CC=CC=C2)CC3=CC(=CC=C3)C#N)CCC4=CC=CC=C4

DOS

IR

Vibrations