Geometry & MOs

Info

ID:	415665
PubChem CID:	135088664
Reduced:	N5O5C30H39 (1)
Stoich.:	A5B5C30D39 (1)
Weight, g/mol:	335.103669
ΔH_f, kcal/mol:	-183.41
Dipole, Da:	8.15
IP(EA), eV:	-9.43(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyridin-3-yl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C)C(C)C

DOS

IR

Vibrations