Geometry & MOs

Info

ID:	134700
PubChem CID:	51740715
Reduced:	SN2O4C26H42 (1)
Stoich.:	AB2C4D26E42 (1)
Weight, g/mol:	336.277678
ΔH_f, kcal/mol:	-195.04
Dipole, Da:	2.07
IP(EA), eV:	-9.24(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2R)-N-butyl-2-[cyclohexyl(pentanoyl)amino]pent-3-enamide

Drug info:

PubChemData

Smile

CCCCC(=O)N(C1CCCCC1)[C@H](C(CC)CC)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations