Geometry & MOs

Info

ID:

160836

PubChem CID:

57389939

Reduced:

FO5N6C27H35 (1)

Stoich.:

AB5C6D27E35 (1)

Weight, g/mol:

436.192212

ΔHf, kcal/mol:

-187.79

Dipole, Da:

7.73

IP(EA), eV:

 -9.27(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S)-4-(difluoromethoxy)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-hydroxy-3-methyl-6-morpholin-4-yl-4H-pyrimidin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)C2C(=O)C(=O)N3CC4(CCC(C3=N2)(CC4)N(C)C(=O)C(=O)N(C)C)N(C)C)F

DOS

IR

Vibrations