Geometry & MOs

Info

ID:	352146
PubChem CID:	127283214
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-79.52
Dipole, Da:	4.89
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCC4=CC=CC=C34

DOS

IR

Vibrations