Geometry & MOs

Info

ID:	37752
PubChem CID:	8024108
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	274.113984
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	3.51
IP(EA), eV:	-9.05(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C

DOS

IR

Vibrations