Geometry & MOs

Info

ID:	391113
PubChem CID:	135002900
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	476.267508
ΔH_f, kcal/mol:	-169.79
Dipole, Da:	4.5
IP(EA), eV:	-9.86(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[benzyl-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]amino]-7-oxabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(C1=NC(=CS1)C(=O)OC)OC(=O)C

DOS

IR

Vibrations