Geometry & MOs

Info

ID:	329153
PubChem CID:	126731454
Reduced:	OSF2N5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	516.12431
ΔH_f, kcal/mol:	-59.6
Dipole, Da:	4.21
IP(EA), eV:	-8.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopropylmethylamino)-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[3-[(2,5-difluorophenyl)sulfanylamino]-2,6-difluorophenyl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations