Geometry & MOs

Info

ID:	313041
PubChem CID:	126610907
Reduced:	NSO7C13H21 (1)
Stoich.:	ABC7D13E21 (1)
Weight, g/mol:	433.130553
ΔH_f, kcal/mol:	-282.05
Dipole, Da:	3.52
IP(EA), eV:	-10.58(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,6aS)-2-(2H-benzotriazole-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-(5-chloro-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

CCCCC(CCC)C(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O

DOS

IR

Vibrations