Geometry & MOs

Info

ID:

443384

PubChem CID:

135258800

Reduced:

PN4O10C21H29 (1)

Stoich.:

AB4C10D21E29 (1)

Weight, g/mol:

572.151959

ΔHf, kcal/mol:

-448.03

Dipole, Da:

2.78

IP(EA), eV:

 -9.46(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (2S)-2-[[[(2R,3R,4R)-4-(4-carbamoyl-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]methylamino]butanedioate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H]([C@](CO1)(N2C=NC(=C2O)C(=O)N)O)O)OC3=CC=CC=C3

DOS

IR

Vibrations