Geometry & MOs

Info

ID:	434264
PubChem CID:	135174554
Reduced:	PO3N6C24H33 (1)
Stoich.:	AB3C6D24E33 (1)
Weight, g/mol:	259.087829
ΔH_f, kcal/mol:	-27.99
Dipole, Da:	4.0
IP(EA), eV:	-7.75(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S)-1-hydroxy-2-methylpropyl]-3,4-dimethyl-2,2-dioxo-2lambda6-thia-6-azabicyclo[3.2.0]hept-3-en-7-one

Drug info:

PubChemData

Smile

CC(C)(COCC1=CC=CC=C1)NP(COCCN2C=NC3=C(NNC32)N)OC4=CC=CC=C4

DOS

IR

Vibrations