Geometry & MOs

Info

ID:

186990

PubChem CID:

77512892

Reduced:

ON5H19C20 (1)

Stoich.:

AB5C19D20 (1)

Weight, g/mol:

486.183795

ΔHf, kcal/mol:

78.43

Dipole, Da:

4.35

IP(EA), eV:

 -9.12(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4,5,13-trimethyl-7-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C(C(NNC2=O)C3=CC=NC=C3)C4=NC=CC=N4

DOS

IR

Vibrations