Geometry & MOs

Info

ID:	49214
PubChem CID:	11531936
Reduced:	BrOSN3C19H26 (1)
Stoich.:	ABCD3E19F26 (1)
Weight, g/mol:	424.176324
ΔH_f, kcal/mol:	-6.28
Dipole, Da:	2.27
IP(EA), eV:	-8.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazol-3-yl]-2-methylprop-1-enyl] dimethyl phosphate

Drug info:

PubChemData

Smile

CN1C(=CN=C1SCCCN2CCCCC2)C(C3=CC=C(C=C3)Br)O

DOS

IR

Vibrations