Geometry & MOs

Info

ID:	317815
PubChem CID:	126645938
Reduced:	NSF4O5C27H27 (1)
Stoich.:	ABC4D5E27F27 (1)
Weight, g/mol:	218.08777
ΔH_f, kcal/mol:	-357.63
Dipole, Da:	5.75
IP(EA), eV:	-9.53(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-pyrrolidin-1-ylsulfanylbenzonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1CC(=O)O)F)OCCCN(CC2=CC=CC=C2)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations