Geometry & MOs

Info

ID:	396917
PubChem CID:	135029441
Reduced:	SO2N4H16C23 (1)
Stoich.:	AB2C4D16E23 (1)
Weight, g/mol:	271.141973
ΔH_f, kcal/mol:	139.81
Dipole, Da:	11.53
IP(EA), eV:	-9.05(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3R,7S,7aS)-3-tert-butyl-7-hydroxy-1-methyl-5-oxo-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

DOS

IR

Vibrations