Geometry & MOs

Info

ID:

223815

PubChem CID:

85335614

Reduced:

Cl2O3N6C29H38 (1)

Stoich.:

A2B3C6D29E38 (1)

Weight, g/mol:

581.212178

ΔHf, kcal/mol:

-89.04

Dipole, Da:

4.08

IP(EA), eV:

 -8.82(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-3-[[1-[4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamoyloxy]butanoic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1NC(=O)C(CCN)C3=CC(=C(C=C3)Cl)Cl)C(NN2)NC(=O)C4=CC=CC(=C4)CN5CCOCC5

DOS

IR

Vibrations