Geometry & MOs

Info

ID:	324402
PubChem CID:	126677594
Reduced:	FO5N6C29H33 (1)
Stoich.:	AB5C6D29E33 (1)
Weight, g/mol:	355.254501
ΔH_f, kcal/mol:	-144.86
Dipole, Da:	7.0
IP(EA), eV:	-8.53(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(8R)-8-methyl-2-oxododecan-3-yl]-7-sulfanylhept-4-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5CC[C@H]([C@H](C5)OC)OC

DOS

IR

Vibrations