Geometry & MOs

Info

ID:	447230
PubChem CID:	135281345
Reduced:	NSO3C6H9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	634.27828
ΔH_f, kcal/mol:	-107.18
Dipole, Da:	5.2
IP(EA), eV:	-9.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C=CC(=O)SCC(C(=O)O)N

DOS

IR

Vibrations