Geometry & MOs

Info

ID:	140660
PubChem CID:	52738529
Reduced:	SO3N5C23H36 (1)
Stoich.:	AB3C5D23E36 (1)
Weight, g/mol:	461.246061
ΔH_f, kcal/mol:	-107.02
Dipole, Da:	2.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755287
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]piperidin-4-yl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2CC[NH+](CC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

DOS

IR

Vibrations