Geometry & MOs

Info

ID:

448861

PubChem CID:

135294140

Reduced:

PSN2O5C23H29 (1)

Stoich.:

ABC2D5E23F29 (1)

Weight, g/mol:

597.224002

ΔHf, kcal/mol:

-206.41

Dipole, Da:

2.25

IP(EA), eV:

 -8.47(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(dimethylamino)-6-methylidenexanthen-9-yl]-[3-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylamino]-3-oxopropyl]phosphinic acid

Drug info:

PubChemData

Smile

CC/C=C\C1=C(N=C(S1)C2=C(C3=C(C=C(C=C3)N(CC)CC)OC2=O)P(=O)(OC)OC)C

DOS

IR

Vibrations