Geometry & MOs

Info

ID:	367706
PubChem CID:	127325457
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	371.152829
ΔH_f, kcal/mol:	-53.42
Dipole, Da:	4.67
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1CCC(=O)N2CCN3C=CN=C3C2)C

DOS

IR

Vibrations