Geometry & MOs

Info

ID:	218369
PubChem CID:	85089238
Reduced:	SO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	452.329045
ΔH_f, kcal/mol:	-41.76
Dipole, Da:	3.21
IP(EA), eV:	-8.93(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-6-hydroxy-2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3H-chromen-4-one

Drug info:

PubChemData

Smile

CCN1CCCC(C1)OC(=O)C2=CC(C(=O)N=C2C(C)C)C3=CSC(=N3)C4=CC=NC=C4

DOS

IR

Vibrations