Geometry & MOs

Info

ID:	275814
PubChem CID:	103818061
Reduced:	ClNF3H9C13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	344.137005
ΔH_f, kcal/mol:	-100.13
Dipole, Da:	1.89
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[4-(difluoromethylsulfanyl)anilino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NCC2=CC(=C(C=C2F)F)F

DOS

IR

Vibrations