Geometry & MOs

Info

ID:	393176
PubChem CID:	135019625
Reduced:	NSO4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	733.198167
ΔH_f, kcal/mol:	-123.05
Dipole, Da:	3.42
IP(EA), eV:	-9.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-4,5-dibenzoyloxy-2-methyl-6-[(Z)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]oxyoxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/C2=CC=CC=C2)\O[C@H]3CCCCO3

DOS

IR

Vibrations