Geometry & MOs

Info

ID:	187718
PubChem CID:	77614233
Reduced:	SO2N5C14H15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	539.302703
ΔH_f, kcal/mol:	63.87
Dipole, Da:	3.67
IP(EA), eV:	-8.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[3-(4-chlorophenyl)-1-[4-[2-[(dimethylamino)methyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]azetidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=CNC=C2CC(=O)C(=O)C3NNNN3

DOS

IR

Vibrations