Geometry & MOs

Info

ID:	139687
PubChem CID:	52580430
Reduced:	SN2O3C23H30 (1)
Stoich.:	AB2C3D23E30 (1)
Weight, g/mol:	306.093519
ΔH_f, kcal/mol:	-101.44
Dipole, Da:	6.91
IP(EA), eV:	-9.36(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-3-[(3-fluorophenyl)methyl]-1-methylurea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C

DOS

IR

Vibrations