Geometry & MOs

Info

ID:	58099
PubChem CID:	24424045
Reduced:	OSN3C10H12 (2)
Stoich.:	ABC3D10E12 (2)
Weight, g/mol:	246.043854
ΔH_f, kcal/mol:	18.55
Dipole, Da:	10.5
IP(EA), eV:	-8.66(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-prop-2-enyl-3-(2,3,4-trifluorophenyl)thiourea

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=S)NNC(=O)C(=O)NNC(=S)NC2=CC=C(C=C2)CC

DOS

IR

Vibrations