Geometry & MOs

Info

ID:	181872
PubChem CID:	76807767
Reduced:	SN3O3H9C13 (1)
Stoich.:	AB3C3D9E13 (1)
Weight, g/mol:	500.231122
ΔH_f, kcal/mol:	-11.4
Dipole, Da:	1.78
IP(EA), eV:	-9.64(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2-methoxyphenyl)-2-[(6-oxo-3-piperidin-2-ylidenecyclohexa-1,4-diene-1-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC(=C1)C2=NC(=O)C3C(=N2)N=CS3

DOS

IR

Vibrations