Geometry & MOs

Info

ID:	358996
PubChem CID:	127297188
Reduced:	O2N7C16H27 (1)
Stoich.:	A2B7C16D27 (1)
Weight, g/mol:	382.203862
ΔH_f, kcal/mol:	-31.0
Dipole, Da:	1.84
IP(EA), eV:	-9.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylcyclohexyl)-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC(=O)CN2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations