Geometry & MOs

Info

ID:

443567

PubChem CID:

135259345

Reduced:

SF2N3O7C31H33 (1)

Stoich.:

AB2C3D7E31F33 (1)

Weight, g/mol:

602.292929

ΔHf, kcal/mol:

-345.61

Dipole, Da:

8.5

IP(EA), eV:

 -8.99(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[2-[(5S)-2-[3-(difluoromethyl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(dimethylamino)-N-methylidenebenzenecarboximidamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CC(C3=CC=CC=C3OC)OC4C[C@@H]5CC(C[C@@H]5C4)(F)F)C(C)(C)C(=O)O)C6=NC=CO6

DOS

IR

Vibrations