Geometry & MOs

Info

ID:	138929
PubChem CID:	52444765
Reduced:	SF3O3H9C13 (1)
Stoich.:	AB3C3D9E13 (1)
Weight, g/mol:	316.056775
ΔH_f, kcal/mol:	-227.55
Dipole, Da:	1.53
IP(EA), eV:	-9.34(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-1-propylthiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations