Geometry & MOs

Info

ID:

180340

PubChem CID:

76617307

Reduced:

ClON2F4H13C19 (1)

Stoich.:

ABC2D4E13F19 (1)

Weight, g/mol:

630.126

ΔHf, kcal/mol:

-176.33

Dipole, Da:

6.25

IP(EA), eV:

 -9.7(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(3-bromo-4-methoxyphenyl)-N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodec-3-ene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=O)C1C2=CN=C(C=C2)C3=C(C=C(C=C3)C(F)(F)F)F)Cl)C

DOS

IR

Vibrations