Geometry & MOs

Info

ID:	440695
PubChem CID:	135231009
Reduced:	ON7C28H33 (1)
Stoich.:	AB7C28D33 (1)
Weight, g/mol:	537.288595
ΔH_f, kcal/mol:	83.37
Dipole, Da:	7.9
IP(EA), eV:	-8.3(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[methyl(oxolan-3-ylsulfanyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C2=NC=C(C=N2)N3CC4(CCC(CC4)(C5=CC=CC=C5)N(C)C)NC3=O)N=C

DOS

IR

Vibrations