Geometry & MOs

Info

ID:	82903
PubChem CID:	49856771
Reduced:	NO5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	429.215138
ΔH_f, kcal/mol:	-181.43
Dipole, Da:	5.07
IP(EA), eV:	-9.07(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[(1S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxopropyl]-5-oxo-2H-pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H](C=CC1=O)[C@@H](CC=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations