Geometry & MOs

Info

ID:	401227
PubChem CID:	135050645
Reduced:	NSO2C29H43 (1)
Stoich.:	ABC2D29E43 (1)
Weight, g/mol:	158.98021
ΔH_f, kcal/mol:	-61.65
Dipole, Da:	5.75
IP(EA), eV:	-9.32(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

beryllium;butan-1-one;bromide

Drug info:

PubChemData

Smile

CC/C=C/C/C=C\C/C=C\CCCCCCCCC(CC)(C#N)S(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations