Geometry & MOs

Info

ID:	49622
PubChem CID:	11533396
Reduced:	SO4N5C25H33 (1)
Stoich.:	AB4C5D25E33 (1)
Weight, g/mol:	499.322163
ΔH_f, kcal/mol:	-118.83
Dipole, Da:	10.99
IP(EA), eV:	-8.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-5-methoxy-4,4-dimethylpentyl)-3-[1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N(C)CCC2=CC=C(C=C2)C3=NCCN3

DOS

IR

Vibrations