Geometry & MOs

Info

ID:	38182
PubChem CID:	8027862
Reduced:	NO5C25H27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-178.18
Dipole, Da:	3.53
IP(EA), eV:	-9.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-methoxyphenyl)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)O[C@@H](C)C(=O)NC[C@@H](C4=CC=CC=C4)O

DOS

IR

Vibrations