Geometry & MOs

Info

ID:	81817
PubChem CID:	49855203
Reduced:	NSCl2O4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	384.146537
ΔH_f, kcal/mol:	-129.31
Dipole, Da:	7.06
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SCC(CC#N)COC2=CC(=C(C=C2)Cl)Cl)OC(C)(C)C(=O)O

DOS

IR

Vibrations