Geometry & MOs

Info

ID:

110500

PubChem CID:

50327529

Reduced:

O5N6C28H36 (1)

Stoich.:

A5B6C28D36 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-190.96

Dipole, Da:

2.39

IP(EA), eV:

 -8.77(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)N(C)C)C(=O)N

DOS

IR

Vibrations