Geometry & MOs

Info

ID:	189341
PubChem CID:	77842262
Reduced:	NSO2C19H19 (2)
Stoich.:	ABC2D19E19 (2)
Weight, g/mol:	316.199822
ΔH_f, kcal/mol:	-44.62
Dipole, Da:	2.19
IP(EA), eV:	-8.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetylpyrrolidine-2-carboxylic acid;ethyl 2-amino-4-methylpentanoate

Drug info:

PubChemData

Smile

CN1CCC2=C(C=CC(=C2)SC3=CC=CC=C3)C(C1)OC(=O)C=CC(=O)OC4CN(CCC5=C4C=CC(=C5)SC6=CC=CC=C6)C

DOS

IR

Vibrations