Geometry & MOs

Info

ID:

178744

PubChem CID:

76374262

Reduced:

O5C23H28 (1)

Stoich.:

A5B23C28 (1)

Weight, g/mol:

741.218398

ΔHf, kcal/mol:

-175.3

Dipole, Da:

4.56

IP(EA), eV:

 -9.83(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-1-[(2-methoxycarbonylcyclopropyl)methyl]pyrrolidine-2-carbonyl]amino]-3-methoxybenzoate

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1C3CC3C4C2C(CC5(C4C6CC6C57OCC(=O)O7)C)O

DOS

IR

Vibrations