Geometry & MOs

Info

ID:	188148
PubChem CID:	77673850
Reduced:	FN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	648.116951
ΔH_f, kcal/mol:	-99.42
Dipole, Da:	1.75
IP(EA), eV:	-8.87(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-[4-(3-chloro-4-pyridin-2-yloxyanilino)thieno[2,3-d]pyrimidin-6-yl]ethynyl]pyrrolidin-3-yl] N,N-dimethylcarbamate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCC1CNNC1C(=O)OC2=C(C=C(C=C2)OCC3=CC=CC=C3)F

DOS

IR

Vibrations