Geometry & MOs

Info

ID:	446272
PubChem CID:	135273683
Reduced:	INO2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	598.376407
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	2.59
IP(EA), eV:	-9.49(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-6-(4-azidobutyl)-11-[3-[(3R)-3-ethanimidoylsulfanyl-2-methylbutyl]-2-methyloxiran-2-yl]-4-ethyl-3,7-dihydroxy-4,8-dimethyl-5-oxoundecanoate

Drug info:

PubChemData

Smile

CC(C(C)(C)C(C)(C)N1C(=O)C=CC1=O)I

DOS

IR

Vibrations