Geometry & MOs

Info

ID:	326223
PubChem CID:	126687197
Reduced:	ClFO2N7C19H23 (1)
Stoich.:	ABC2D7E19F23 (1)
Weight, g/mol:	377.105481
ΔH_f, kcal/mol:	-33.37
Dipole, Da:	4.95
IP(EA), eV:	-8.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-3-[[2-(5-chloro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCCC[C@]1(N)N(C2=NC(=NC=C2F)C3=CNC4C3=CC(=CN4)Cl)N

DOS

IR

Vibrations