Geometry & MOs

Info

ID:	398764
PubChem CID:	135035293
Reduced:	NO5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	309.97755
ΔH_f, kcal/mol:	-194.05
Dipole, Da:	5.61
IP(EA), eV:	-8.3(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-1,3-dimethyl-2-oxoindol-3-yl)methyl thiocyanate

Drug info:

PubChemData

Smile

CN1[C@H]2CC3(CC[C@]2(CC1=O)C4=CC(=C(C=C4)OC)OC)OCCO3

DOS

IR

Vibrations