Geometry & MOs

Info

ID:	358482
PubChem CID:	127296078
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	368.170454
ΔH_f, kcal/mol:	15.79
Dipole, Da:	5.26
IP(EA), eV:	-8.64(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=CN(N=C3)CC4=CC=CC=C4

DOS

IR

Vibrations