Geometry & MOs

Info

ID:	43922
PubChem CID:	10322064
Reduced:	NO5C28H31 (1)
Stoich.:	AB5C28D31 (1)
Weight, g/mol:	461.231456
ΔH_f, kcal/mol:	-166.24
Dipole, Da:	3.86
IP(EA), eV:	-8.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[(2S)-2-[1,3-benzoxazol-2-yl(hydroxy)methyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)CO

DOS

IR

Vibrations