Geometry & MOs

Info

ID:	229058
PubChem CID:	87566856
Reduced:	OS2N3H27C29 (1)
Stoich.:	AB2C3D27E29 (1)
Weight, g/mol:	423.263425
ΔH_f, kcal/mol:	101.42
Dipole, Da:	2.97
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-methyl-5-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]phenyl]methyl]-N-[(6-methylpyridin-3-yl)amino]formamide

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=NSN=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations