Geometry & MOs

Info

ID:	59820
PubChem CID:	24898450
Reduced:	NSO2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	423.10848
ΔH_f, kcal/mol:	-35.16
Dipole, Da:	5.45
IP(EA), eV:	-9.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate

Drug info:

PubChemData

Smile

CC[C@@H](CS(=O)(=O)C1=CC=CC=N1)C2=CC=CC=C2

DOS

IR

Vibrations