Geometry & MOs

Info

ID:	315183
PubChem CID:	126624813
Reduced:	OC2S2H4 (1)
Stoich.:	AB2C2D4 (1)
Weight, g/mol:	568.254652
ΔH_f, kcal/mol:	-14.35
Dipole, Da:	2.37
IP(EA), eV:	-9.02(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-N-(4-cyanopyridin-2-yl)-2-ethenyl-5-[[3-[[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]hexa-2,4-dienamide

Drug info:

PubChemData

Smile

CC(=S)SO

DOS

IR

Vibrations