Geometry & MOs

Info

ID:	339789
PubChem CID:	127261798
Reduced:	NOSC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	251.05422
ΔH_f, kcal/mol:	22.12
Dipole, Da:	4.5
IP(EA), eV:	-8.94(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-5-methyl-4-nitro-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(=NO1)C2=CC=CC=C2)SC

DOS

IR

Vibrations