Geometry & MOs

Info

ID:	320133
PubChem CID:	126658434
Reduced:	ON5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	379.18173
ΔH_f, kcal/mol:	101.9
Dipole, Da:	10.44
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4Z,6Z)-N-benzyl-7-ethoxy-6-methoxy-3-methylidene-1-methylsulfonylocta-4,6-dien-2-amine

Drug info:

PubChemData

Smile

C/C=C(\C=C(\C1=CC=CC=C1)/N=C)/C(=O)NC2=CC=CC(=C2)C3=NN=CN3C

DOS

IR

Vibrations