Geometry & MOs

Info

ID:	379682
PubChem CID:	134456336
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	548.156592
ΔH_f, kcal/mol:	-17.66
Dipole, Da:	5.75
IP(EA), eV:	-8.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2CC2)C3=CC(=C(C=C3)N)S(=O)(=O)C

DOS

IR

Vibrations