Geometry & MOs

Info

ID:	16719
PubChem CID:	475962
Reduced:	N3O4C27H37 (1)
Stoich.:	A3B4C27D37 (1)
Weight, g/mol:	467.278407
ΔH_f, kcal/mol:	-170.58
Dipole, Da:	2.89
IP(EA), eV:	-9.05(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3CCC[C@H]3C(=O)NC(C)(C)C)O

DOS

IR

Vibrations