Geometry & MOs

Info

ID:

16810

PubChem CID:

477075

Reduced:

BrPN6O9C23H30 (1)

Stoich.:

ABC6D9E23F30 (1)

Weight, g/mol:

644.09953

ΔHf, kcal/mol:

-319.05

Dipole, Da:

6.19

IP(EA), eV:

 -8.39(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-1-[[(2S,3S,5R)-3-azido-5-(5-bromo-6-methoxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C(N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N3CCC[C@H]3C(=O)OC)OC4=CC=CC=C4)N=[N+]=[N-])OC)Br

DOS

IR

Vibrations