Geometry & MOs

Info

ID:

16815

PubChem CID:

477080

Reduced:

PBr2N6O9C24H33 (1)

Stoich.:

AB2C6D9E24F33 (1)

Weight, g/mol:

740.03929

ΔHf, kcal/mol:

-381.85

Dipole, Da:

5.93

IP(EA), eV:

 -9.45(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R)-2-[[[(2S,3S,5R)-3-azido-5-(5-bromo-6-methoxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy-(4-bromophenoxy)phosphoryl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C(C(C(=O)NC2=O)(C)Br)OC)N=[N+]=[N-])OC3=CC=C(C=C3)Br

DOS

IR

Vibrations