Geometry & MOs

Info

ID:	221250
PubChem CID:	85261695
Reduced:	O5N6C18H24 (1)
Stoich.:	A5B6C18D24 (1)
Weight, g/mol:	553.085942
ΔH_f, kcal/mol:	-183.09
Dipole, Da:	5.73
IP(EA), eV:	-9.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl 6-[5-(benzenesulfonyl)pent-4-enyl]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CC1C(=O)NC(C(=O)N1)CCCNC(=O)C2=CC=C(C=C2)N=C(N)N

DOS

IR

Vibrations