Geometry & MOs

Info

ID:	29376
PubChem CID:	833432
Reduced:	BrClOSN2H10C11 (1)
Stoich.:	ABCDE2F10G11 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	4.89
Dipole, Da:	5.4
IP(EA), eV:	-9.06(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3aR,7aR)-5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl] prop-2-enoate

Drug info:

PubChemData

Smile

C1CC1C(=O)NC(=S)NC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations