Geometry & MOs

Info

ID:	443569
PubChem CID:	135259360
Reduced:	BrSN2O4H9C10 (1)
Stoich.:	ABC2D4E9F10 (1)
Weight, g/mol:	311.209658
ΔH_f, kcal/mol:	-122.11
Dipole, Da:	5.32
IP(EA), eV:	-9.7(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-7-methoxycarbonyl-4,5,5,7,8-pentamethylnonanoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)Br)CS(=O)(=O)C3

DOS

IR

Vibrations