Geometry & MOs

Info

ID:	391100
PubChem CID:	135002810
Reduced:	FO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	427.161762
ΔH_f, kcal/mol:	-102.92
Dipole, Da:	4.84
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S,10S,11S)-4,4-diethyl-3,3-difluoro-10-methyl-9-oxo-11-(trimethylsilyloxymethyl)-2-oxa-4-azonia-3-boranuidaspiro[5.5]undecan-1-ylidene]chromium

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)O)C(=O)C2=CC=CC=C2F

DOS

IR

Vibrations