Geometry & MOs

Info

ID:	83966
PubChem CID:	49862933
Reduced:	NO3C20H22 (2)
Stoich.:	AB3C20D22 (2)
Weight, g/mol:	428.24975
ΔH_f, kcal/mol:	-134.0
Dipole, Da:	2.12
IP(EA), eV:	-9.28(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(3-thiophen-2-ylphenyl)ethylideneamino] N-dodecylcarbamate

Drug info:

PubChemData

Smile

CCCC(=C1C(=O)CC(CC1=O)C2=CC(=CC=C2)C3CC(=O)C(=C(CCC)NOCC4=CC=CC=C4)C(=O)C3)NOCC5=CC=CC=C5

DOS

IR

Vibrations