Geometry & MOs

Info

ID:	60278
PubChem CID:	26676096
Reduced:	N2F3O4H13C15 (1)
Stoich.:	A2B3C4D13E15 (1)
Weight, g/mol:	400.11246
ΔH_f, kcal/mol:	-233.02
Dipole, Da:	7.29
IP(EA), eV:	-9.22(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)ethyl]-3-[3-(1H-indol-3-yl)propanoylamino]thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=N\OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations