Geometry & MOs

Info

ID:	422019
PubChem CID:	135117019
Reduced:	SO4N9C34H43 (1)
Stoich.:	AB4C9D34E43 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-67.98
Dipole, Da:	10.98
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NN2CC(=O)N[C@H](CN(CC(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C2=N1)CC4=CC=CC=C4)CC(C)C)C(=O)C5=CNC=C5)C(C)C

DOS

IR

Vibrations