Geometry & MOs

Info

ID:	435954
PubChem CID:	135192994
Reduced:	ClFNC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	393.107789
ΔH_f, kcal/mol:	-45.09
Dipole, Da:	1.4
IP(EA), eV:	-9.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-(2-chloro-4-fluorophenyl)-N-(6-methoxypyridin-3-yl)-3-methylpyrrolidine-1-carboximidothioate

Drug info:

PubChemData

Smile

CC1CNC[C@@H]1C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations