Geometry & MOs

Info

ID:	62598
PubChem CID:	26725235
Reduced:	S2N3O8C19H27 (1)
Stoich.:	A2B3C8D19E27 (1)
Weight, g/mol:	493.07442
ΔH_f, kcal/mol:	-289.59
Dipole, Da:	9.68
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N'-[4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-1,1-dioxothiolane-3-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)OC

DOS

IR

Vibrations