Geometry & MOs

Info

ID:

214911

PubChem CID:

85083836

Reduced:

SN6O6C32H42 (1)

Stoich.:

AB6C6D32E42 (1)

Weight, g/mol:

638.418254

ΔHf, kcal/mol:

-251.42

Dipole, Da:

6.25

IP(EA), eV:

 -9.23(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[6-[4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(oxan-2-yloxy)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-3-phenylmethoxypropanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CSC3N2C(=O)C(CC3)NC(=O)C(CC4=CC=C(C=C4)O)N

DOS

IR

Vibrations