Geometry & MOs

Info

ID:

214790

PubChem CID:

85083643

Reduced:

PSeN4O11C20H30 (1)

Stoich.:

ABC4D11E20F30 (1)

Weight, g/mol:

609.270208

ΔHf, kcal/mol:

-481.09

Dipole, Da:

7.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753636

Charge, e:

 0

Chem-info

IUPAC name:

[5-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,7-diphenylhept-6-en-3-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OC3CC(OC3CO)N4CC(C(=O)NC4=O)C)[Se])O

DOS

IR

Vibrations