Geometry & MOs

Info

ID:	194993
PubChem CID:	78618127
Reduced:	FSN3O3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	357.01466
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	10.11
IP(EA), eV:	-8.96(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-prop-2-enylthiourea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NNC(=S)NC2=CC=CC=C2F)OCC(=O)O

DOS

IR

Vibrations