Geometry & MOs

Info

ID:	42997
PubChem CID:	10317662
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	380.079925
ΔH_f, kcal/mol:	-54.23
Dipole, Da:	2.96
IP(EA), eV:	-8.67(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-(6-methylpyridin-2-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC[C@@H]1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations