Geometry & MOs

Info

ID:	381111
PubChem CID:	134971756
Reduced:	SO6N7C30H41 (1)
Stoich.:	AB6C7D30E41 (1)
Weight, g/mol:	176.033086
ΔH_f, kcal/mol:	-201.06
Dipole, Da:	5.3
IP(EA), eV:	-9.04(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dichloro-(2-methylcyclohexen-1-yl)borane

Drug info:

PubChemData

Smile

C[C@H]1C2=NC(=CO2)C(=O)N[C@H](C(=O)N3CCCC3C(=O)N[C@H](C4=NC(=CS4)C(=N/C(=C(/C)\O)/C(=O)N1)C)C(C)C)CC(C)C

DOS

IR

Vibrations