Geometry & MOs

Info

ID:	418640
PubChem CID:	135106490
Reduced:	OSN5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	367.131425
ΔH_f, kcal/mol:	24.09
Dipole, Da:	7.08
IP(EA), eV:	-9.21(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-2-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)CC3=NN=C(S3)C

DOS

IR

Vibrations