Geometry & MOs

Info

ID:

328300

PubChem CID:

126700636

Reduced:

SO4N5C22H23 (1)

Stoich.:

AB4C5D22E23 (1)

Weight, g/mol:

681.242119

ΔHf, kcal/mol:

-28.45

Dipole, Da:

10.83

IP(EA), eV:

 -8.25(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[2-[bis[(4-methoxyphenyl)methyl]amino]-4-fluoro-1,3-benzothiazol-6-yl]-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]oxy]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC2=C(S1)N=C(C=C2)C3=NC4=C5N3CCCCOC5=CC(=C4)O

DOS

IR

Vibrations