Geometry & MOs

Info

ID:	136032
PubChem CID:	51968908
Reduced:	SN2O2C10H11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	322.169271
ΔH_f, kcal/mol:	-119.88
Dipole, Da:	7.3
IP(EA), eV:	-8.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[(5-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)[C@H](C)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C

DOS

IR

Vibrations