Geometry & MOs

Info

ID:	329163
PubChem CID:	126731470
Reduced:	OSF2N2C12H16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	510.088593
ΔH_f, kcal/mol:	-114.92
Dipole, Da:	6.61
IP(EA), eV:	-8.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2,5-difluorophenyl)sulfanylamino]-2,6-difluorophenyl]-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC)SNC1=C(C(=C(C=C1)F)C(=O)C)F

DOS

IR

Vibrations