Geometry & MOs

Info

ID:	420899
PubChem CID:	135115013
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-17.57
Dipole, Da:	5.94
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2C(=O)C=C(N=C2S1)CN3C[C@H]([C@H](C3)OC)CC4=CC(=NO4)C

DOS

IR

Vibrations