Geometry & MOs

Info

ID:	324899
PubChem CID:	126678565
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-136.83
Dipole, Da:	4.78
IP(EA), eV:	-9.47(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[(2S)-2-(dihydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)C2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations