Geometry & MOs

Info

ID:	82996
PubChem CID:	49856967
Reduced:	NO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-173.42
Dipole, Da:	2.36
IP(EA), eV:	-9.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3aR,4S,6S,6aR)-2-oxo-4-(2-oxopropyl)-6-phenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H]2[C@@H](CC(=O)[C@H]2CC1=O)C3=CC=CC=C3

DOS

IR

Vibrations