Geometry & MOs

Info

ID:	43787
PubChem CID:	10321791
Reduced:	NO6C26H33 (1)
Stoich.:	AB6C26D33 (1)
Weight, g/mol:	455.209658
ΔH_f, kcal/mol:	-238.13
Dipole, Da:	3.65
IP(EA), eV:	-9.4(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3aR,6R,6aS)-2,2-dimethyl-6-(tritylamino)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carboxylate

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H]([C@H](C(=O)C2=CC=CC=C2)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations