Geometry & MOs

Info

ID:	221977
PubChem CID:	85293106
Reduced:	NSO4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	428.295801
ΔH_f, kcal/mol:	-133.19
Dipole, Da:	4.42
IP(EA), eV:	-9.13(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-ethoxyethoxy)propyl]-4,5,5a,6,7,8,9,9a-octahydrobenzo[b]oxepin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(CC2C(=C)C3=CC=CC=C3)CCC(=O)OC)C

DOS

IR

Vibrations