Geometry & MOs

Info

ID:	122018
PubChem CID:	50789909
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	469.167142
ΔH_f, kcal/mol:	-123.14
Dipole, Da:	3.48
IP(EA), eV:	-8.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethylsulfonyl-3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2=C(C(=O)OC23CCN(CC3)C(C)C)C)C

DOS

IR

Vibrations