Geometry & MOs

Info

ID:	343208
PubChem CID:	127266381
Reduced:	OF2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	281.083413
ΔH_f, kcal/mol:	-77.93
Dipole, Da:	8.78
IP(EA), eV:	-9.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-nitrophenyl)-3-(thietan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1)C)C(=O)NC2=CC(=NN2C)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations