Geometry & MOs

Info

ID:	58114
PubChem CID:	24424192
Reduced:	SN2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	288.109648
ΔH_f, kcal/mol:	78.34
Dipole, Da:	9.44
IP(EA), eV:	-8.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-1-ethyl-3-(2-fluorophenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=S)NCC2=CC(=CC=C2)CNC(=S)NC3=CC=CC(=C3)C

DOS

IR

Vibrations