Geometry & MOs

Info

ID:	140516
PubChem CID:	52713542
Reduced:	OSN5C12H17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	44.37
Dipole, Da:	3.33
IP(EA), eV:	-9.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-propan-2-yloxyphenyl)methyl]-1-prop-2-enyl-1-(thiophen-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C1=CC=CS1)NC(=O)CN2C=NN=N2

DOS

IR

Vibrations