Geometry & MOs

Info

ID:	161673
PubChem CID:	57392299
Reduced:	FN3O3S3C19H22 (1)
Stoich.:	AB3C3D3E19F22 (1)
Weight, g/mol:	618.11639
ΔH_f, kcal/mol:	-120.94
Dipole, Da:	3.45
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[4-bromo-N-[(3-methoxyphenyl)methyl]anilino]piperidin-1-yl]butyl]-3,5-dichloropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCCSC1=NC2=CC(=C(C=C2S1)F)N3C(=O)SC(=N3)C(C)(C)C

DOS

IR

Vibrations