Geometry & MOs

Info

ID:	134960
PubChem CID:	51789829
Reduced:	ClNOC14H15 (2)
Stoich.:	ABCD14E15 (2)
Weight, g/mol:	470.197235
ΔH_f, kcal/mol:	-50.37
Dipole, Da:	8.84
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-2-(N-[2-(1,3-benzodioxol-5-yl)acetyl]-2-chloroanilino)-N-butylhept-3-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=C(C=C1)Cl)N(C2=CC=CC=C2Cl)C(=O)C[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations