Geometry & MOs

Info

ID:	218245
PubChem CID:	85089080
Reduced:	NSSiO5C21H35 (1)
Stoich.:	ABCD5E21F35 (1)
Weight, g/mol:	442.162768
ΔH_f, kcal/mol:	-263.49
Dipole, Da:	6.01
IP(EA), eV:	-8.4(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-(3-ethoxy-3-oxoprop-1-enyl)-2-hydroxy-3-methoxyphenyl]-3-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CCN(C1CS(=O)(=O)C2=CC=CC=C2)CCC(=O)OC

DOS

IR

Vibrations