Geometry & MOs

Info

ID:	31505
PubChem CID:	855800
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	284.098334
ΔH_f, kcal/mol:	29.85
Dipole, Da:	9.03
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylphenyl)-3-benzylthiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=S)NCC2=CC=CC=C2

DOS

IR

Vibrations