Geometry & MOs

Info

ID:	224032
PubChem CID:	85337154
Reduced:	O4N5C26H27 (1)
Stoich.:	A4B5C26D27 (1)
Weight, g/mol:	473.254416
ΔH_f, kcal/mol:	-13.1
Dipole, Da:	5.87
IP(EA), eV:	-9.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methoxy-4-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-7-pentyl-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate

Drug info:

PubChemData

Smile

CON=C1CC(N(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC(=NO4)CCN5CCCC5=O

DOS

IR

Vibrations