Geometry & MOs

Info

ID:	143419
PubChem CID:	53206606
Reduced:	O3N4H24C28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	429.144175
ΔH_f, kcal/mol:	-1.59
Dipole, Da:	3.35
IP(EA), eV:	-9.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]thiourea

Drug info:

PubChemData

Smile

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC=CC(=C3)C#N)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations