Geometry & MOs

Info

ID:	140669
PubChem CID:	52739044
Reduced:	ClSN3O3C22H26 (1)
Stoich.:	ABC3D3E22F26 (1)
Weight, g/mol:	441.161933
ΔH_f, kcal/mol:	-106.83
Dipole, Da:	3.41
IP(EA), eV:	-8.68(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@@H](CCSC)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations