Geometry & MOs

Info

ID:	405176
PubChem CID:	135072912
Reduced:	NSO4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-68.83
Dipole, Da:	8.22
IP(EA), eV:	-8.92(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-(3-methyl-1-phenylbut-3-enylidene)amino] acetate

Drug info:

PubChemData

Smile

CC#CCCCC(CCC1=CC=CC=C1)N(OC(=O)C2=CC=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations