Geometry & MOs

Info

ID:	329178
PubChem CID:	126731535
Reduced:	ClSF2O2N4H13C18 (1)
Stoich.:	ABC2D2E4F13G18 (1)
Weight, g/mol:	469.118416
ΔH_f, kcal/mol:	-54.65
Dipole, Da:	3.01
IP(EA), eV:	-8.68(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCS(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C(=C23)Cl)C#N)F

DOS

IR

Vibrations