Geometry & MOs

Info

ID:

297963

PubChem CID:

117636683

Reduced:

N5O11C25H39 (1)

Stoich.:

A5B11C25D39 (1)

Weight, g/mol:

377.037264

ΔHf, kcal/mol:

-499.87

Dipole, Da:

9.95

IP(EA), eV:

 -8.52(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4S,9R,11R)-15-amino-3,6,11-trihydroxy-6-oxo-2,5,7,10-tetraoxa-12,14,16,19-tetraza-6lambda5-phosphapentacyclo[9.8.0.01,3.04,9.013,18]nonadeca-13(18),15-dien-17-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H]2[C@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC3=C1NC(=NC3=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations