Geometry & MOs

Info

ID:	329174
PubChem CID:	126731531
Reduced:	ClSF2H3C6 (1)
Stoich.:	ABC2D3E6 (1)
Weight, g/mol:	567.136352
ΔH_f, kcal/mol:	-71.75
Dipole, Da:	0.66
IP(EA), eV:	-9.38(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[4-(cyclopentylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-4,6-difluorocyclohexa-1,3-dien-1-yl]-4-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)SCl)F

DOS

IR

Vibrations