Geometry & MOs

Info

ID:	176250
PubChem CID:	76018647
Reduced:	SO2N3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	598.419317
ΔH_f, kcal/mol:	34.5
Dipole, Da:	3.91
IP(EA), eV:	-8.52(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyldodecyl 1-methyl-7-oxo-6-[(3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl)amino]azepane-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC4=C(C=C3)NC=C4)S2

DOS

IR

Vibrations