Geometry & MOs

Info

ID:	404871
PubChem CID:	135071541
Reduced:	O8C19H28 (1)
Stoich.:	A8B19C28 (1)
Weight, g/mol:	273.17625
ΔH_f, kcal/mol:	-284.34
Dipole, Da:	2.85
IP(EA), eV:	-9.92(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,R)-N-(7,7-dimethyl-6-oxooctylidene)-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1(C(OC(C(O1)C(=O)OCCCC#C)C(=O)OCCC=C)(C)OC)OC

DOS

IR

Vibrations