Geometry & MOs

Info

ID:	436556
PubChem CID:	135205303
Reduced:	S2O3N4C15H16 (1)
Stoich.:	A2B3C4D15E16 (1)
Weight, g/mol:	524.233602
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	5.96
IP(EA), eV:	-9.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-[[2-fluoro-4-[3-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1(CC1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C4=NC=CS4)C

DOS

IR

Vibrations