Geometry & MOs

Info

ID:	139393
PubChem CID:	52521957
Reduced:	OSCl2N2C17H18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	316.056775
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	7.74
IP(EA), eV:	-8.38(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-3-(3,5-dichlorophenyl)-1-propylthiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=S)NC2=C(C=C(C(=C2)C)Cl)OC)C

DOS

IR

Vibrations