Geometry & MOs

Info

ID:

17012

PubChem CID:

482149

Reduced:

PN7O8C23H30 (1)

Stoich.:

AB7C8D23E30 (1)

Weight, g/mol:

563.189348

ΔHf, kcal/mol:

-301.07

Dipole, Da:

3.43

IP(EA), eV:

 -9.62(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy-(2-cyanoethoxy)phosphoryl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@H](CC3=CC=CC=C3)C(=O)OC)OCCC#N)N=[N+]=[N-]

DOS

IR

Vibrations