Geometry & MOs

Info

ID:	134868
PubChem CID:	51771409
Reduced:	NOC12H18 (2)
Stoich.:	ABC12D18 (2)
Weight, g/mol:	384.277678
ΔH_f, kcal/mol:	-101.29
Dipole, Da:	2.27
IP(EA), eV:	-9.37(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-N-cyclohexyl-2-[methyl-[(2R)-2-phenylbutanoyl]amino]hept-3-enamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@@H](C(=O)NC1CCCCC1)N(C)C(=O)[C@H](CC)C2=CC=CC=C2

DOS

IR

Vibrations