Geometry & MOs

Info

ID:

222735

PubChem CID:

85332198

Reduced:

N4O4C29H40 (1)

Stoich.:

A4B4C29D40 (1)

Weight, g/mol:

509.247204

ΔHf, kcal/mol:

-136.07

Dipole, Da:

7.59

IP(EA), eV:

 -8.54(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-[2-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-4-yl)oxy]ethyl]-2-ethyl-5-fluoro-7,9-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadecan-10-one

Drug info:

PubChemData

Smile

CCN1C2C(CCCN2)N(C(=O)C3C1NCC(C3)CCOC4=CC=CC5=C(C=CC=C54)CCC(=O)O)C

DOS

IR

Vibrations