Geometry & MOs

Info

ID:

223916

PubChem CID:

85335770

Reduced:

P2S2K3O15C17H29 (1)

Stoich.:

A2B2C3D15E17F29 (1)

Weight, g/mol:

686.306412

ΔHf, kcal/mol:

-732.32

Dipole, Da:

74.52

IP(EA), eV:

 -4.91(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-amino-4-methylpentanoyl)amino]-4-[(10-ethyl-5,9-dioxo-23-pentyl-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaen-10-yl)oxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CSSC1CCCCC(=O)OCC(COP(=O)([O-])OC2C(C(C(C(C2O)O)OP(=O)([O-])[O-])O)O)O.[K+].[K+].[K+]

DOS

IR

Vibrations