Geometry & MOs

Info

ID:	46377
PubChem CID:	10524136
Reduced:	N3O6C18H31 (1)
Stoich.:	A3B6C18D31 (1)
Weight, g/mol:	385.225308
ΔH_f, kcal/mol:	-309.87
Dipole, Da:	4.03
IP(EA), eV:	-9.92(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-tert-butyl 3-O-ethyl (3S,3aS,6aS)-6a-benzyl-6-methyl-1,3,3a,4-tetrahydrocyclopenta[c]pyrrole-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]1C[C@H](CN1C(=O)C)O

DOS

IR

Vibrations