Geometry & MOs

Info

ID:	386765
PubChem CID:	134982842
Reduced:	NSO2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	398.248851
ΔH_f, kcal/mol:	-38.56
Dipole, Da:	5.2
IP(EA), eV:	-8.87(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,4E,6S,7S,8S)-7-acetyloxy-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-2,4-dienoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC4[C@@H]5CC[C@@H](C5)C4C=C3C2

DOS

IR

Vibrations