Geometry & MOs

Info

ID:	49839
PubChem CID:	11533940
Reduced:	Si2O3C32H50 (1)
Stoich.:	A2B3C32D50 (1)
Weight, g/mol:	538.209531
ΔH_f, kcal/mol:	-113.52
Dipole, Da:	3.2
IP(EA), eV:	-8.68(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[4-chloro-5-methyl-2-(2-piperazin-1-ylethoxy)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@](CCC#CC(C1=C(C(=CC=C1)OC)CC#C)O[Si](C)(C)C(C)(C)C)(CC#C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations