Geometry & MOs

Info

ID:

107639

PubChem CID:

50212415

Reduced:

ClO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-184.25

Dipole, Da:

6.04

IP(EA), eV:

 -9.02(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)Cl)C

DOS

IR

Vibrations