Geometry & MOs

Info

ID:	144980
PubChem CID:	53444393
Reduced:	OCl2N2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	291.024454
ΔH_f, kcal/mol:	-66.68
Dipole, Da:	5.1
IP(EA), eV:	-9.61(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-2-hydroxyethylidene]urea

Drug info:

PubChemData

Smile

C1CN(CCN1CCCl)C(=O)C2=CC=CC=C2.Cl

DOS

IR

Vibrations