Geometry & MOs

Info

ID:	352231
PubChem CID:	127283313
Reduced:	SN2O2C6H7 (2)
Stoich.:	AB2C2D6E7 (2)
Weight, g/mol:	336.198383
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	6.98
IP(EA), eV:	-9.89(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1C(=O)NCC2=NOC(=N2)C3=CC=CS3

DOS

IR

Vibrations