Geometry & MOs

Info

ID:	324903
PubChem CID:	126678570
Reduced:	N2O5C18H24 (1)
Stoich.:	A2B5C18D24 (1)
Weight, g/mol:	322.164105
ΔH_f, kcal/mol:	-205.02
Dipole, Da:	5.13
IP(EA), eV:	-9.29(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-3-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations