Geometry & MOs

Info

ID:	367557
PubChem CID:	127324936
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	-84.65
Dipole, Da:	5.64
IP(EA), eV:	-8.68(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylcyclohexyl)piperazin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC(C(=O)N4)C

DOS

IR

Vibrations