Geometry & MOs

Info

ID:	356533
PubChem CID:	127291713
Reduced:	BrSO2N4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	186.136828
ΔH_f, kcal/mol:	-22.04
Dipole, Da:	1.83
IP(EA), eV:	-9.14(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-2-methylpropyl)-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2S(=O)(=O)C3=CC(=CN=C3)Br

DOS

IR

Vibrations