Geometry & MOs

Info

ID:

91898

PubChem CID:

49979943

Reduced:

N6O7C41H52 (1)

Stoich.:

A6B7C41D52 (1)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-267.41

Dipole, Da:

3.12

IP(EA), eV:

 -8.39(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[4-methyl-3-(2-methylbutanoylamino)anilino]-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations