Geometry & MOs

Info

ID:	58103
PubChem CID:	24424067
Reduced:	SN2F3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	300.090804
ΔH_f, kcal/mol:	-87.22
Dipole, Da:	4.87
IP(EA), eV:	-8.78(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)thiourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations