Geometry & MOs

Info

ID:	58118
PubChem CID:	24424219
Reduced:	O2S2N3C21H29 (1)
Stoich.:	A2B2C3D21E29 (1)
Weight, g/mol:	452.066295
ΔH_f, kcal/mol:	-45.64
Dipole, Da:	7.2
IP(EA), eV:	-8.53(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[4-[(4-chlorophenyl)carbamothioylamino]cyclohexyl]thiourea

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N(CC)CC2=CC=CC=C2

DOS

IR

Vibrations