Geometry & MOs

Info

ID:	229218
PubChem CID:	87567207
Reduced:	N3O5C27H41 (1)
Stoich.:	A3B5C27D41 (1)
Weight, g/mol:	231.092915
ΔH_f, kcal/mol:	-248.81
Dipole, Da:	6.47
IP(EA), eV:	-8.86(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-methyl-5-oxo-3-sulfanylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)C(=O)NC2CCN(C2=O)[C@H]3CC[C@H](C[C@H]3C(=O)OC)NC(C)(C)C)O

DOS

IR

Vibrations