Geometry & MOs

Info

ID:	329165
PubChem CID:	126731472
Reduced:	OSF2N6C24H24 (1)
Stoich.:	ABC2D6E24F24 (1)
Weight, g/mol:	440.111853
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	4.93
IP(EA), eV:	-8.71(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCSNC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C(=NC=N3)NCCCC4=CN=CC=C4)F

DOS

IR

Vibrations