Geometry & MOs

Info

ID:	429520
PubChem CID:	135169569
Reduced:	ClFSO2N4H14C15 (1)
Stoich.:	ABCD2E4F14G15 (1)
Weight, g/mol:	503.191501
ΔH_f, kcal/mol:	-43.13
Dipole, Da:	2.94
IP(EA), eV:	-8.45(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluorocyclohexyl)-4-methoxy-6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]methoxy]-2,3-dihydro-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CNC1=NC2=C(S1)C(=C(C=C2OC)OCC3=C(C(=NC=C3)N)F)Cl

DOS

IR

Vibrations