Geometry & MOs

Info

ID:	27592
PubChem CID:	822437
Reduced:	BrOSN2C6H7 (1)
Stoich.:	ABCD2E6F7 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-15.65
Dipole, Da:	2.43
IP(EA), eV:	-9.17(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C)Br

DOS

IR

Vibrations