Geometry & MOs

Info

ID:

107010

PubChem CID:

50185523

Reduced:

N3O3C19H23 (2)

Stoich.:

A3B3C19D23 (2)

Weight, g/mol:

686.322811

ΔHf, kcal/mol:

-215.35

Dipole, Da:

2.89

IP(EA), eV:

 -8.23(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCOCC5)C)C

DOS

IR

Vibrations