Geometry & MOs

Info

ID:	191640
PubChem CID:	78172330
Reduced:	OSN2H16C18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	468.251189
ΔH_f, kcal/mol:	28.9
Dipole, Da:	2.33
IP(EA), eV:	-8.48(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC3C(C(=CS3)C4=CC=CC=C4)C(=O)N2

DOS

IR

Vibrations