Geometry & MOs

Info

ID:	325647
PubChem CID:	126684326
Reduced:	NSF2H7C15 (1)
Stoich.:	ABC2D7E15 (1)
Weight, g/mol:	434.199065
ΔH_f, kcal/mol:	44.29
Dipole, Da:	6.99
IP(EA), eV:	-9.48(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-7-chloro-2-[(4-chlorocyclohexa-2,4-dien-1-yl)methyl]-2-[ethoxy(hydroxy)methyl]-4-methylnonanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC(=C(C(=C2)F)SC#N)F

DOS

IR

Vibrations