Geometry & MOs

Info

ID:	402324
PubChem CID:	135055520
Reduced:	NSO4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	800.196119
ΔH_f, kcal/mol:	-132.27
Dipole, Da:	6.83
IP(EA), eV:	-9.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2,3-dibenzoyloxy-4-[4-[(1S)-4,4-bis(benzenesulfonyl)-2-methylidenecyclohexyl]pent-4-enoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C/C/1=C/2\CN([C@@H]([C@@H]2CC/C=C\C1)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations