Geometry & MOs

Info

ID:	329189
PubChem CID:	126731713
Reduced:	OSF2N5C20H23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	483.134066
ΔH_f, kcal/mol:	-70.04
Dipole, Da:	4.74
IP(EA), eV:	-8.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopentylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2,6-difluoro-3-[(2-fluorophenyl)sulfanylamino]phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)CSNC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C(=NC=N3)NC(C)C)F

DOS

IR

Vibrations