Geometry & MOs

Info

ID:

441508

PubChem CID:

135235538

Reduced:

PN11O13C61H68 (1)

Stoich.:

AB11C13D61E68 (1)

Weight, g/mol:

512.241018

ΔHf, kcal/mol:

-365.67

Dipole, Da:

10.39

IP(EA), eV:

 -8.58(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-ethoxy-4-[2-[2-ethoxy-4-(1-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2[C@H]5[C@H]6[C@@H]([C@@](O5)(CN6C(NC(=O)O)NC(=O)O)COC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)OP(N(C(C)C)C(C)C)OCCC#N

DOS

IR

Vibrations