Geometry & MOs

Info

ID:	375236
PubChem CID:	131481007
Reduced:	BrSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	202.085461
ΔH_f, kcal/mol:	-101.24
Dipole, Da:	5.2
IP(EA), eV:	-10.13(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-hydroxyiminomethyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CS(=O)(=O)C2=C1C=CC=C2Br

DOS

IR

Vibrations