Geometry & MOs

Info

ID:	162250
PubChem CID:	57394055
Reduced:	BrN3O3S3C18H20 (1)
Stoich.:	AB3C3D3E18F20 (1)
Weight, g/mol:	519.300954
ΔH_f, kcal/mol:	-83.8
Dipole, Da:	3.36
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[(3R)-3-[4-[4-methoxy-N-(pyridin-3-ylmethyl)anilino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C)SC1=NC2=CC(=C(C=C2S1)Br)N3C(=O)SC(=N3)C(C)(C)C

DOS

IR

Vibrations