Geometry & MOs

Info

ID:	208841
PubChem CID:	80592464
Reduced:	BrN3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	272.101706
ΔH_f, kcal/mol:	14.83
Dipole, Da:	6.42
IP(EA), eV:	-9.72(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamothioyl-N,3-dimethyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)(C#N)C(=O)NC2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations