Geometry & MOs

Info

ID:

443205

PubChem CID:

135258100

Reduced:

PN3O9C22H28 (1)

Stoich.:

AB3C9D22E28 (1)

Weight, g/mol:

519.140666

ΔHf, kcal/mol:

-425.17

Dipole, Da:

7.18

IP(EA), eV:

 -9.67(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,4R,6R)-6-methyl-5,10-dioxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methoxy-phenoxyphosphoryl]amino]but-3-enoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](O[C@@H](C1=O)COP(=O)(N[C@@H](C)C(=O)OC(C)C)OC2=CC=CC=C2)N3C=CC(=O)NC3=O

DOS

IR

Vibrations