Geometry & MOs

Info

ID:	389404
PubChem CID:	134992721
Reduced:	OSC16H22 (1)
Stoich.:	ABC16D22 (1)
Weight, g/mol:	257.162708
ΔH_f, kcal/mol:	-31.34
Dipole, Da:	4.25
IP(EA), eV:	-8.46(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (Z)-2-[acetyl(ethoxy)amino]pent-2-enoate

Drug info:

PubChemData

Smile

CC1(COC1C2(CCCC2)SC3=CC=CC=C3)C

DOS

IR

Vibrations