Geometry & MOs

Info

ID:

214879

PubChem CID:

85083789

Reduced:

PSN8O11C21H29 (1)

Stoich.:

ABC8D11E21F29 (1)

Weight, g/mol:

632.203601

ΔHf, kcal/mol:

-436.1

Dipole, Da:

5.63

IP(EA), eV:

 -9.83(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[[hydroxy-[1-[(4-nitrobenzoyl)amino]-2-phenylethyl]phosphoryl]methyl]cyclopentanecarbonyl]amino]-2-(1H-indol-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC1(C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)OC3C(OC(C3OC)N4C=NC5C4=NC(=NC5=O)N)CO)O)O

DOS

IR

Vibrations