Geometry & MOs

Info

ID:	58133
PubChem CID:	24424268
Reduced:	Cl2O2S2N3C19H23 (1)
Stoich.:	A2B2C2D3E19F23 (1)
Weight, g/mol:	405.010553
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	7.02
IP(EA), eV:	-8.73(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations