Geometry & MOs

Info

ID:	276080
PubChem CID:	103820420
Reduced:	FOSN3H10C13 (1)
Stoich.:	ABCD3E10F13 (1)
Weight, g/mol:	290.058883
ΔH_f, kcal/mol:	-14.12
Dipole, Da:	6.82
IP(EA), eV:	-9.37(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichlorophenyl)-3-(3-hydroxy-2,2-dimethylpropyl)urea

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)NC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations