Geometry & MOs

Info

ID:

106148

PubChem CID:

50150909

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-185.26

Dipole, Da:

2.33

IP(EA), eV:

 -8.84(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(3-fluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations