Geometry & MOs

Info

ID:	325721
PubChem CID:	126684631
Reduced:	NO6C24H29 (1)
Stoich.:	AB6C24D29 (1)
Weight, g/mol:	499.293388
ΔH_f, kcal/mol:	-246.63
Dipole, Da:	4.47
IP(EA), eV:	-8.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[(5E)-5-[(2E,4E,6E)-1-hydroxy-2,4,7-trimethyltrideca-2,4,6-trienylidene]-4,6-dioxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations