Geometry & MOs

Info

ID:	321944
PubChem CID:	126667437
Reduced:	OSF2N8C22H24 (1)
Stoich.:	ABC2D8E22F24 (1)
Weight, g/mol:	540.18675
ΔH_f, kcal/mol:	-3.53
Dipole, Da:	4.35
IP(EA), eV:	-8.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(difluoromethoxy)-2-(4-methylpiperazin-1-yl)-5-[[4-(1-methylthieno[3,2-c]pyrazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2N)NC3=NC=CC(=N3)C4=NN(C5=C4SC=C5)C)OC(F)F

DOS

IR

Vibrations