Geometry & MOs

Info

ID:

110860

PubChem CID:

50342146

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

599.310769

ΔHf, kcal/mol:

-180.98

Dipole, Da:

8.16

IP(EA), eV:

 -9.07(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-methoxybenzoyl)amino]phenyl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations