Geometry & MOs

Info

ID:	69545
PubChem CID:	47193723
Reduced:	ClOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	292.077869
ΔH_f, kcal/mol:	-15.93
Dipole, Da:	1.98
IP(EA), eV:	-8.76(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-methylphenyl)-3-[(2-fluorophenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NCCC2=CC=CS2)Cl

DOS

IR

Vibrations