Geometry & MOs

Info

ID:	84517
PubChem CID:	49867224
Reduced:	N2S2O3C14H28 (1)
Stoich.:	A2B2C3D14E28 (1)
Weight, g/mol:	459.225702
ΔH_f, kcal/mol:	-179.61
Dipole, Da:	6.82
IP(EA), eV:	-9.2(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3E,7S,9E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide

Drug info:

PubChemData

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C(CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@H](CCS)S

DOS

IR

Vibrations