Geometry & MOs

Info

ID:	416825
PubChem CID:	135090485
Reduced:	N5O5C26H29 (1)
Stoich.:	A5B5C26D29 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-111.3
Dipole, Da:	6.49
IP(EA), eV:	-9.04(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN2C=C(CO[C@H]3CN(C[C@@H]3NC(=O)C4=CC(=CC=C4)OC1)C(=O)CCC5=CC=C(C=C5)O)N=N2

DOS

IR

Vibrations