Geometry & MOs

Info

ID:	144385
PubChem CID:	53359395
Reduced:	SO3N4C30H30 (1)
Stoich.:	AB3C4D30E30 (1)
Weight, g/mol:	244.069536
ΔH_f, kcal/mol:	30.12
Dipole, Da:	3.48
IP(EA), eV:	-9.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (4S,5R)-3-(methylcarbamoyl)-4,5-dihydro-1,2-oxazole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1C=C(N=C1)/C=C/CN(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations