Geometry & MOs

Info

ID:	83201
PubChem CID:	49857274
Reduced:	SO2N3H21C25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	312.20893
ΔH_f, kcal/mol:	9.48
Dipole, Da:	9.11
IP(EA), eV:	-8.49(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,7S,10R)-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),13(18),14,16-tetraen-15-ol

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)C3=C(N2)C(=CC=C3)C4=C5C(=C(C=C4)N)C6=CC=CC=C6S5

DOS

IR

Vibrations