Geometry & MOs

Info

ID:

91403

PubChem CID:

49975696

Reduced:

N6O6C35H46 (1)

Stoich.:

A6B6C35D46 (1)

Weight, g/mol:

662.342798

ΔHf, kcal/mol:

-240.22

Dipole, Da:

9.01

IP(EA), eV:

 -8.79(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-6-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCC2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations