Geometry & MOs

Info

ID:

84498

PubChem CID:

49866965

Reduced:

P2N9O16C36H43 (1)

Stoich.:

A2B9C16D36E43 (1)

Weight, g/mol:

259.027945

ΔHf, kcal/mol:

-719.61

Dipole, Da:

4.77

IP(EA), eV:

 -8.67(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-amino-3-[(1R,2R)-1-hydroxy-1-phosphonopropan-2-yl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N3C(=O)C[C@@H]([C@@]34[C@@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)O)O)O)O)NC(=O)NC4=O)C8=CC=CC=C8

DOS

IR

Vibrations