Geometry & MOs

Info

ID:

110724

PubChem CID:

50337741

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

656.332233

ΔHf, kcal/mol:

-186.47

Dipole, Da:

6.3

IP(EA), eV:

 -8.36(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methoxy-5-(phenylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)F)C(=O)NCC(C)C

DOS

IR

Vibrations