Geometry & MOs

Info

ID:	138844
PubChem CID:	52433403
Reduced:	ClFO3N4H20C23 (1)
Stoich.:	ABC3D4E20F23 (1)
Weight, g/mol:	454.120796
ΔH_f, kcal/mol:	-47.44
Dipole, Da:	5.17
IP(EA), eV:	-8.59(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NN(N=C2C=C1NC(=O)[C@@H](C3=CC=C(C=C3)F)OC)C4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations