Geometry & MOs

Info

ID:	417159
PubChem CID:	135091550
Reduced:	SO6N7C30H41 (1)
Stoich.:	AB6C7D30E41 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-228.47
Dipole, Da:	3.66
IP(EA), eV:	-9.4(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)C)C)C)C(C)C

DOS

IR

Vibrations