Geometry & MOs

Info

ID:	446982
PubChem CID:	135279291
Reduced:	SO4N6C24H32 (1)
Stoich.:	AB4C6D24E32 (1)
Weight, g/mol:	504.487946
ΔH_f, kcal/mol:	-74.93
Dipole, Da:	7.88
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)CCS(=O)(=O)C)N(N=C2)C4=CC(=NC(=N4)OC)N5CC(C5)O

DOS

IR

Vibrations