Geometry & MOs

Info

ID:

47612

PubChem CID:

10534528

Reduced:

O11N17C72H129 (1)

Stoich.:

A11B17C72D129 (1)

Weight, g/mol:

1412.454075

ΔHf, kcal/mol:

-670.3

Dipole, Da:

9.88

IP(EA), eV:

 -8.83(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dibenzyl [(2R,3R,4R,5R)-4-[(2R,3R,4R,5R,6R)-4,5-bis[bis(phenylmethoxy)phosphoryloxy]-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-imidazol-1-yl-5-(phenylmethoxymethyl)oxolan-3-yl] phosphate

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)N)NC(=O)C2(CCCCC2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C3(CCCCC3)NC(=O)C4(CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)C5(CCCCC5)NC(=O)C6(CCCCC6)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N

DOS

IR

Vibrations