Geometry & MOs

Info

ID:	375792
PubChem CID:	134221782
Reduced:	NSO5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	318.183109
ΔH_f, kcal/mol:	-133.95
Dipole, Da:	1.89
IP(EA), eV:	-9.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4E,6Z)-2,5-dimethylocta-4,6-dien-2-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC(C=C)(C=CC(=C)C(=O)COC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)OC

DOS

IR

Vibrations