Geometry & MOs

Info

ID:

16811

PubChem CID:

477076

Reduced:

BrPSN6O9C23H32 (1)

Stoich.:

ABCD6E9F23G32 (1)

Weight, g/mol:

678.08725

ΔHf, kcal/mol:

-366.13

Dipole, Da:

11.16

IP(EA), eV:

 -9.15(-0.97)

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-phenoxyphosphoryl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC1(C(N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@H](CCSC)C(=O)OC)OC3=CC=CC=C3)N=[N+]=[N-])OC)Br

DOS

IR

Vibrations