Geometry & MOs

Info

ID:	58100
PubChem CID:	24424050
Reduced:	SN2F3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	316.004882
ΔH_f, kcal/mol:	-79.76
Dipole, Da:	4.5
IP(EA), eV:	-8.84(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-(2,3,4-trifluorophenyl)thiourea

Drug info:

PubChemData

Smile

C=CCNC(=S)NC1=C(C(=C(C=C1)F)F)F

DOS

IR

Vibrations