Geometry & MOs

Info

ID:

95828

PubChem CID:

50015485

Reduced:

BrO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-210.54

Dipole, Da:

5.11

IP(EA), eV:

 -9.07(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N(CC)CC)C)Br

DOS

IR

Vibrations