Geometry & MOs

Info

ID:

116349

PubChem CID:

50557416

Reduced:

ClFO4N5C32H35 (1)

Stoich.:

ABC4D5E32F35 (1)

Weight, g/mol:

619.256147

ΔHf, kcal/mol:

-176.31

Dipole, Da:

7.7

IP(EA), eV:

 -9.02(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[4-[(4-methoxybenzoyl)amino]-3-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)NC4=CC=C(C=C4)F)C)Cl

DOS

IR

Vibrations