Geometry & MOs

Info

ID:

181753

PubChem CID:

76789344

Reduced:

O2N6C25H34 (1)

Stoich.:

A2B6C25D34 (1)

Weight, g/mol:

654.224752

ΔHf, kcal/mol:

6.23

Dipole, Da:

6.91

IP(EA), eV:

 -8.54(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(dimethylamino)propyl]-2-fluoro-5-methoxy-4-[[4-[[1-[methyl(methylsulfonyl)amino]-2,3-dihydro-1H-inden-2-yl]oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C=CC2=CC=CC=C2)N3CCN(CC3)C4=NC=C(C=N4)C(=O)CO

DOS

IR

Vibrations