Geometry & MOs

Info

ID:	194994
PubChem CID:	78618278
Reduced:	BrSO2N3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	325.02483
ΔH_f, kcal/mol:	17.3
Dipole, Da:	5.01
IP(EA), eV:	-8.34(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)propylideneamino]-3-prop-2-enylthiourea

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C=NNC(=S)NCC=C)Br)OC

DOS

IR

Vibrations