Geometry & MOs

Info

ID:	25679
PubChem CID:	628592
Reduced:	SO2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	426.386166
ΔH_f, kcal/mol:	31.55
Dipole, Da:	6.43
IP(EA), eV:	-8.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7,12,16-tetramethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)S)OC

DOS

IR

Vibrations