Geometry & MOs

Info

ID:	237629
PubChem CID:	92720063
Reduced:	NSH17C20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	391.174336
ΔH_f, kcal/mol:	93.12
Dipole, Da:	3.27
IP(EA), eV:	-8.24(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(5S)-3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)[C@H](C3=CC=CC=C3)C4=CC=CS4

DOS

IR

Vibrations