Geometry & MOs

Info

ID:	173729
PubChem CID:	75674364
Reduced:	ClFN2O6H14C25 (1)
Stoich.:	ABC2D6E14F25 (1)
Weight, g/mol:	342.140199
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	31.07
IP(EA), eV:	-8.15(-4.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-hydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-3-phenylthiourea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)C=C3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)F)[O-])C(=O)[O-]

DOS

IR

Vibrations