Geometry & MOs

Info

ID:

420365

PubChem CID:

135112743

Reduced:

FN2C11H11 (2)

Stoich.:

AB2C11D11 (2)

Weight, g/mol:

698.288654

ΔHf, kcal/mol:

-30.82

Dipole, Da:

4.73

IP(EA), eV:

 -8.87(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-5-[3-(1,3-benzothiazol-2-yl)propanoyl]-22-methoxy-13-(2-pyridin-3-ylacetyl)-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=C(C2=N1)F)F)N3CCCC4(C3)CCC5=CN=C(N=C45)C

DOS

IR

Vibrations