Geometry & MOs

Info

ID:	373713
PubChem CID:	131319071
Reduced:	O2S2N3C9H9 (1)
Stoich.:	A2B2C3D9E9 (1)
Weight, g/mol:	282.98441
ΔH_f, kcal/mol:	-25.97
Dipole, Da:	5.96
IP(EA), eV:	-8.91(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(4-bromophenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=C(NC(=N2)SC)C(=O)O

DOS

IR

Vibrations