Geometry & MOs

Info

ID:	244699
PubChem CID:	99376444
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-100.4
Dipole, Da:	7.4
IP(EA), eV:	-9.0(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1N2C[C@@H](CC2=O)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations