Geometry & MOs

Info

ID:	26845
PubChem CID:	799571
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	284.13472
ΔH_f, kcal/mol:	27.93
Dipole, Da:	7.02
IP(EA), eV:	-9.71(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(2-phenylethyl)thiourea

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations