Geometry & MOs

Info

ID:

190705

PubChem CID:

78044605

Reduced:

O3N5C17H21 (1)

Stoich.:

A3B5C17D21 (1)

Weight, g/mol:

640.219509

ΔHf, kcal/mol:

-44.11

Dipole, Da:

0.47

IP(EA), eV:

 -8.86(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3-butyl-3-ethyl-1,1-dihydroxy-7-methoxy-5-phenyl-4,5-dihydro-2H-1lambda4,4-benzothiazepin-8-yl)methylamino]ethylphosphonic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCOCC(CN1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N)O

DOS

IR

Vibrations