Geometry & MOs

Info

ID:	58041
PubChem CID:	24423679
Reduced:	SCl2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	339.101703
ΔH_f, kcal/mol:	50.75
Dipole, Da:	4.46
IP(EA), eV:	-8.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Drug info:

PubChemData

Smile

CCN(CC1=CC=NC=C1)C(=S)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations