Geometry & MOs

Info

ID:	339684
PubChem CID:	127261686
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	356.260983
ΔH_f, kcal/mol:	29.75
Dipole, Da:	4.51
IP(EA), eV:	-8.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dodecyl-3-[(E)-(3-ethyl-1,3-thiazolidin-2-ylidene)amino]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)N/N=C/C2=CC=CC=C2

DOS

IR

Vibrations