Geometry & MOs

Info

ID:	329167
PubChem CID:	126731475
Reduced:	SF2O3N5H23C24 (1)
Stoich.:	AB2C3D5E23F24 (1)
Weight, g/mol:	511.108994
ΔH_f, kcal/mol:	-112.28
Dipole, Da:	10.29
IP(EA), eV:	-8.61(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylmethylamino)-3-[3-[(2,5-difluorophenyl)sulfanylamino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CCCSNC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C(=NC=N3)NC4=CCC(C=C4)(C)C(=O)O)F

DOS

IR

Vibrations