Geometry & MOs

Info

ID:	305736
PubChem CID:	124967336
Reduced:	SN4O5C14H22 (1)
Stoich.:	AB4C5D14E22 (1)
Weight, g/mol:	296.138559
ΔH_f, kcal/mol:	-175.28
Dipole, Da:	8.4
IP(EA), eV:	-9.71(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-benzotriazol-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)N2CCO[C@@H](C2)CCC3=CC(=O)N=CN3

DOS

IR

Vibrations