Geometry & MOs

Info

ID:	346994
PubChem CID:	127271498
Reduced:	OSN5C19H31 (1)
Stoich.:	ABC5D19E31 (1)
Weight, g/mol:	338.188881
ΔH_f, kcal/mol:	-38.0
Dipole, Da:	5.37
IP(EA), eV:	-8.35(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)N2CCC(CC2)C3=NC=CN3)N4CCSCC4

DOS

IR

Vibrations