Geometry & MOs

Info

ID:	327534
PubChem CID:	126690273
Reduced:	N3H23C37 (1)
Stoich.:	A3B23C37 (1)
Weight, g/mol:	349.03612
ΔH_f, kcal/mol:	194.9
Dipole, Da:	6.37
IP(EA), eV:	-8.18(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-but-2-en-2-yl]-2-[(2Z,4Z)-1-iodo-4-methylhexa-2,4-dienyl]sulfanylethanimine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C#N)C4=C2C=CC(=C4)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86

DOS

IR

Vibrations