Geometry & MOs

Info

ID:	244621
PubChem CID:	99368365
Reduced:	S2O3N7H13C16 (1)
Stoich.:	A2B3C7D13E16 (1)
Weight, g/mol:	465.299142
ΔH_f, kcal/mol:	40.52
Dipole, Da:	5.07
IP(EA), eV:	-8.85(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methyl-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)NC(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations