Geometry & MOs

Info

ID:	58120
PubChem CID:	24424225
Reduced:	SF2N2C10H10 (2)
Stoich.:	AB2C2D10E10 (2)
Weight, g/mol:	440.206839
ΔH_f, kcal/mol:	-129.17
Dipole, Da:	2.15
IP(EA), eV:	-8.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-[4-[(2,6-dimethylphenyl)carbamothioylamino]cyclohexyl]thiourea

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=S)NC2=C(C=C(C=C2)F)F)NC(=S)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations