Geometry & MOs

Info

ID:	243855
PubChem CID:	99289401
Reduced:	BrSN2O3H15C16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	2.76
IP(EA), eV:	-8.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-2-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(CC2)C(=O)CNC(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations