Geometry & MOs

Info

ID:	357869
PubChem CID:	127295369
Reduced:	SO2N5C17H27 (1)
Stoich.:	AB2C5D17E27 (1)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	0.92
IP(EA), eV:	-8.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-N-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CSC=C2)C(=O)CN3CCN(CC3)CC(=O)N

DOS

IR

Vibrations