Geometry & MOs

Info

ID:	151510
PubChem CID:	53837743
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	306.125594
ΔH_f, kcal/mol:	-65.19
Dipole, Da:	7.79
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14S,16S)-15-oxahexacyclo[10.8.1.02,7.08,21.013,19.014,16]henicosa-1(21),3,5,8,10,13(19)-hexaene-17,18-diol

Drug info:

PubChemData

Smile

CC(=O)CCC(=S)N1C(C(C2=CC=CC=C21)(C)C)C(=O)N

DOS

IR

Vibrations