Geometry & MOs

Info

ID:	422972
PubChem CID:	135118708
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	357.114713
ΔH_f, kcal/mol:	-67.41
Dipole, Da:	4.59
IP(EA), eV:	-9.18(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)[C@H](C3=CC=CC=C3)N)OCC1

DOS

IR

Vibrations