Geometry & MOs

Info

ID:	304893
PubChem CID:	124766283
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	442.293054
ΔH_f, kcal/mol:	-181.42
Dipole, Da:	2.84
IP(EA), eV:	-9.14(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl dodecanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C)C

DOS

IR

Vibrations