Geometry & MOs

Info

ID:	58119
PubChem CID:	24424222
Reduced:	ClSN2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	456.106552
ΔH_f, kcal/mol:	39.51
Dipole, Da:	8.35
IP(EA), eV:	-8.68(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations