Geometry & MOs

Info

ID:

223740

PubChem CID:

85335505

Reduced:

O12C25H32 (1)

Stoich.:

A12B25C32 (1)

Weight, g/mol:

525.281201

ΔHf, kcal/mol:

-452.73

Dipole, Da:

3.58

IP(EA), eV:

 -8.2(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[[2-[[2-(dimethylamino)acetyl]amino]-3-methylpentanoyl]amino]-12-oxo-N-(2H-tetrazol-5-ylmethyl)-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=COC2C(C(C(C(O2)CO)O)O)O)OCC(C(C3=CC(=C(C=C3)O)OC)O)O

DOS

IR

Vibrations