Geometry & MOs

Info

ID:

394606

PubChem CID:

135023280

Reduced:

CuN2C28H42 (1)

Stoich.:

AB2C28D42 (1)

Weight, g/mol:

651.340732

ΔHf, kcal/mol:

84.02

Dipole, Da:

1.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756055

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-yl] (E)-5-[[5-[(4R)-4-ethylhex-5-enoyl]-6-hydroxy-1,4-dimethoxy-7-methylnaphthalen-2-yl]amino]-2-methyl-5-oxopent-2-enoate

Drug info:

PubChemData

Smile

[CH3-].CC(C)C1=C(C(=CC=C1)C(C)C)N2CCN([CH-]2)C3=C(C=CC=C3C(C)C)C(C)C.[Cu+2]

DOS

IR

Vibrations