Geometry & MOs

Info

ID:	329147
PubChem CID:	126731426
Reduced:	SF2O3N4H22C25 (1)
Stoich.:	AB2C3D4E22F25 (1)
Weight, g/mol:	458.082445
ΔH_f, kcal/mol:	-34.98
Dipole, Da:	6.17
IP(EA), eV:	-8.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC=C=C(C=C1)S(=O)NC2=C(C(=C(C=C2)F)C(=O)C3=CNC4=C3C(=NC=N4)OCC)F

DOS

IR

Vibrations