Geometry & MOs

Info

ID:

435252

PubChem CID:

135186582

Reduced:

O6N7C40H43 (1)

Stoich.:

A6B7C40D43 (1)

Weight, g/mol:

516.227887

ΔHf, kcal/mol:

-178.77

Dipole, Da:

7.14

IP(EA), eV:

 -8.52(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C3=NC4=C(N3)C=CC5=CC6=C(C=C54)OCC7=C6C=CC(=C7)C8=CN=C(N8)C9CCCN9C(=O)O)NC(=O)OC

DOS

IR

Vibrations