Geometry & MOs

Info

ID:

214467

PubChem CID:

85083089

Reduced:

O6C13H17 (2)

Stoich.:

A6B13C17 (2)

Weight, g/mol:

538.195131

ΔHf, kcal/mol:

-502.55

Dipole, Da:

8.31

IP(EA), eV:

 -9.82(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-oxopropyl] 9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(C(C)CC1=CC=CC=C1)C(=C)CCC23C(C(C(O2)(C(C(O3)C(=O)O)(C(=O)O)O)C(=O)O)O)O

DOS

IR

Vibrations