Geometry & MOs

Info

ID:	43328
PubChem CID:	10321137
Reduced:	SO2N8C20H26 (1)
Stoich.:	AB2C8D20E26 (1)
Weight, g/mol:	442.235539
ΔH_f, kcal/mol:	10.26
Dipole, Da:	3.49
IP(EA), eV:	-8.37(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,9S,10S,11E)-2-hydroxy-5-(2-hydroxyethoxy)-10-(4-methoxyphenoxy)-15,15-dimethyltricyclo[10.2.1.04,9]pentadeca-4,11-dien-3-one

Drug info:

PubChemData

Smile

CNC(=S)NC[C@H]1CN(C(=O)O1)C2=CN=C(C=C2)N3CCN(CC3)CC4=NC=CN=C4

DOS

IR

Vibrations