Geometry & MOs

Info

ID:	58104
PubChem CID:	24424078
Reduced:	SN2F3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	302.106454
ΔH_f, kcal/mol:	-103.71
Dipole, Da:	6.37
IP(EA), eV:	-8.74(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylcyclohexyl)-3-(2,3,4-trifluorophenyl)thiourea

Drug info:

PubChemData

Smile

C1CC2CC1CC2NC(=S)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations