Geometry & MOs

Info

ID:

106945

PubChem CID:

50182020

Reduced:

N6O7C37H44 (1)

Stoich.:

A6B7C37D44 (1)

Weight, g/mol:

684.327148

ΔHf, kcal/mol:

-234.13

Dipole, Da:

5.9

IP(EA), eV:

 -8.77(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations