Geometry & MOs

Info

ID:	340864
PubChem CID:	127263299
Reduced:	N5O5C15H27 (1)
Stoich.:	A5B5C15D27 (1)
Weight, g/mol:	488.208004
ΔH_f, kcal/mol:	-188.43
Dipole, Da:	4.63
IP(EA), eV:	-9.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(4-methylphenyl)sulfanyl-3,4,5-tris(propylperoxy)oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)NCCCCN=C(N)N)NC(=O)[C@H]1[C@@H](O1)C(=O)O

DOS

IR

Vibrations