Geometry & MOs

Info

ID:	133908
PubChem CID:	51612745
Reduced:	OS2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	382.10842
ΔH_f, kcal/mol:	19.31
Dipole, Da:	2.06
IP(EA), eV:	-8.63(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone

Drug info:

PubChemData

Smile

CCN(C1CCCCC1)C(=O)[C@H](C)SC2=NN=C3N2C4=CC=CC=C4S3

DOS

IR

Vibrations