Geometry & MOs

Info

ID:	373144
PubChem CID:	131310678
Reduced:	BrSN3H4C7 (1)
Stoich.:	ABC3D4E7 (1)
Weight, g/mol:	270.98441
ΔH_f, kcal/mol:	88.75
Dipole, Da:	5.82
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-7-bromo-4-hydroxy-5-methoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC1=CSC2=C(N=C(N12)C#N)Br

DOS

IR

Vibrations