Geometry & MOs

Info

ID:

340574

PubChem CID:

127262585

Reduced:

Cl4N4O6C49H52 (1)

Stoich.:

A4B4C6D49E52 (1)

Weight, g/mol:

907.39213

ΔHf, kcal/mol:

-194.69

Dipole, Da:

7.64

IP(EA), eV:

 -8.86(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC/C=C/C1CC(=O)N(C1=O)C(=O)C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)Cl)NC5=NN(C(=O)C5)C6=C(C=C(C=C6Cl)Cl)Cl

DOS

IR

Vibrations