Geometry & MOs

Info

ID:	197103
PubChem CID:	78921939
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	-95.01
Dipole, Da:	7.15
IP(EA), eV:	-9.86(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2(CC2)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations