Geometry & MOs

Info

ID:	138843
PubChem CID:	52433402
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	454.120796
ΔH_f, kcal/mol:	-107.4
Dipole, Da:	4.98
IP(EA), eV:	-8.53(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-(4-fluorophenyl)-2-methoxyacetamide

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C(=O)C3=CC=CC(=C3)C

DOS

IR

Vibrations