Geometry & MOs

Info

ID:	304628
PubChem CID:	124765995
Reduced:	SN2O4H20C24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	330.167853
ΔH_f, kcal/mol:	-75.0
Dipole, Da:	3.63
IP(EA), eV:	-9.16(-0.57)
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 butanoate

Drug info:

PubChemData

Smile

COC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations