Geometry & MOs

Info

ID:

336620

PubChem CID:

127255627

Reduced:

SN6O6C41H66 (1)

Stoich.:

AB6C6D41E66 (1)

Weight, g/mol:

386.079836

ΔHf, kcal/mol:

-256.55

Dipole, Da:

5.99

IP(EA), eV:

 -8.64(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

azanium;(2S)-2-amino-3-[3-(2-chlorophenyl)-5-(phosphonomethyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)[C@@H](C(C)C)C(=O)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations