Geometry & MOs

Info

ID:	58045
PubChem CID:	24423696
Reduced:	OSN2C7H14 (2)
Stoich.:	ABC2D7E14 (2)
Weight, g/mol:	246.063841
ΔH_f, kcal/mol:	-79.75
Dipole, Da:	1.54
IP(EA), eV:	-8.36(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-3-(3-hydroxypropyl)thiourea

Drug info:

PubChemData

Smile

COCCCNC(=S)N1CCN(CC1)C(=S)NCCCOC

DOS

IR

Vibrations