Geometry & MOs

Info

ID:	411090
PubChem CID:	135083900
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	217.150036
ΔH_f, kcal/mol:	-89.41
Dipole, Da:	3.0
IP(EA), eV:	-9.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,R)-N-heptylidene-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(C)(C)OC1C2C=CC1C(=C2)C(=O)OC

DOS

IR

Vibrations