Geometry & MOs

Info

ID:	37922
PubChem CID:	8025558
Reduced:	N2F3O3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	308.094312
ΔH_f, kcal/mol:	-231.4
Dipole, Da:	5.32
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H](CNC(=O)C2=CC=C(C=C2)OC(F)(F)F)C3=CC=CO3

DOS

IR

Vibrations