Geometry & MOs

Info

ID:

45261

PubChem CID:

10510286

Reduced:

I2N8O10C39H52 (1)

Stoich.:

A2B8C10D39E52 (1)

Weight, g/mol:

1056.424552

ΔHf, kcal/mol:

-408.31

Dipole, Da:

9.68

IP(EA), eV:

 -9.12(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4,5-dimethoxy-2-nitrophenyl)methyl N-[4-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxybutyl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@]1(CCC2=CC=CC=C2C1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CC3=CC(=C(C(=C3)I)O)I)N

DOS

IR

Vibrations