Geometry & MOs

Info

ID:	158568
PubChem CID:	56464196
Reduced:	OS2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	444.186498
ΔH_f, kcal/mol:	-17.53
Dipole, Da:	3.28
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCC(C2=CC=CS2)N3CCCC3

DOS

IR

Vibrations