Geometry & MOs

Info

ID:	324897
PubChem CID:	126678558
Reduced:	N2O5C19H26 (1)
Stoich.:	A2B5C19D26 (1)
Weight, g/mol:	376.236208
ΔH_f, kcal/mol:	-206.69
Dipole, Da:	2.98
IP(EA), eV:	-9.1(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[(2S)-1-[(2S)-2-(dihydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)NC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations