Geometry & MOs

Info

ID:	243270
PubChem CID:	99218131
Reduced:	BrSN2O2C19H23 (1)
Stoich.:	ABC2D2E19F23 (1)
Weight, g/mol:	384.150764
ΔH_f, kcal/mol:	-27.55
Dipole, Da:	5.75
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pentanamide

Drug info:

PubChemData

Smile

CN(C)CCN(C1=CC(=CC=C1)Br)C(=O)CSC2=CC=CC(=C2)OC

DOS

IR

Vibrations