Geometry & MOs

Info

ID:

227274

PubChem CID:

87560997

Reduced:

PO2C23H23 (1)

Stoich.:

AB2C23D23 (1)

Weight, g/mol:

665.222074

ΔHf, kcal/mol:

-43.63

Dipole, Da:

7.0

IP(EA), eV:

 -8.22(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-2-[2-[2-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoyl]amino]ethylamino]-2-oxoethyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid

Drug info:

PubChemData

Smile

CC(C)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations