Geometry & MOs

Info

ID:	401398
PubChem CID:	135051167
Reduced:	NK2O4H7C12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-229.41
Dipole, Da:	10.87
IP(EA), eV:	-8.08(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6,6-dimethoxy-4-methyl-2-(1-methylpyrrol-2-yl)-3-methylsulfanyl-5-oxohex-3-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])NC(=O)[O-].[K+].[K+]

DOS

IR

Vibrations