Geometry & MOs

Info

ID:	79249
PubChem CID:	49747631
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	492.23727
ΔH_f, kcal/mol:	-93.04
Dipole, Da:	7.35
IP(EA), eV:	-8.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)oxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CNS(=O)(=O)/C=C/C2=CC=CC=C2)N3CCOCC3

DOS

IR

Vibrations