Geometry & MOs

Info

ID:	421363
PubChem CID:	135115865
Reduced:	SO4N7C29H37 (1)
Stoich.:	AB4C7D29E37 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	-81.57
Dipole, Da:	4.62
IP(EA), eV:	-8.92(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-4-methoxy-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)C(=O)CC4=CN=CC=C4)N=N3

DOS

IR

Vibrations