Geometry & MOs

Info

ID:	30472
PubChem CID:	841388
Reduced:	OSCl2N2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	304.02039
ΔH_f, kcal/mol:	-33.39
Dipole, Da:	7.65
IP(EA), eV:	-8.6(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=S)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations