Geometry & MOs

Info

ID:	441784
PubChem CID:	135244531
Reduced:	Cl2N2O2C19H22 (1)
Stoich.:	A2B2C2D19E22 (1)
Weight, g/mol:	419.152431
ΔH_f, kcal/mol:	-35.28
Dipole, Da:	3.61
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]-3-methylhexanoic acid

Drug info:

PubChemData

Smile

CC/C(=C(\C(=C(/C)\C1=C(C(=C(C=C1)Cl)N(C)C=O)Cl)\O)/N=CC=C)/C

DOS

IR

Vibrations