Geometry & MOs

Info

ID:	227809
PubChem CID:	87562550
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	472.123898
ΔH_f, kcal/mol:	-42.65
Dipole, Da:	4.43
IP(EA), eV:	-9.41(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]carbamoylamino]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CCCC1CC(CCN1C=O)C2=CC=CC=C2

DOS

IR

Vibrations