Geometry & MOs

Info

ID:	145254
PubChem CID:	53488542
Reduced:	FSN2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	300.109648
ΔH_f, kcal/mol:	-12.28
Dipole, Da:	5.09
IP(EA), eV:	-8.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-5-yl)-3-(2-fluoro-4-methylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(C)C)F

DOS

IR

Vibrations