Geometry & MOs

Info

ID:	304375
PubChem CID:	124568458
Reduced:	NOSC7H11 (2)
Stoich.:	ABCD7E11 (2)
Weight, g/mol:	342.088353
ΔH_f, kcal/mol:	-68.26
Dipole, Da:	6.03
IP(EA), eV:	-8.89(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-benzotriazol-5-yl-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN2CCN(CC2)[C@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations