Geometry & MOs

Info

ID:

111839

PubChem CID:

50383338

Reduced:

NOC7H9 (6)

Stoich.:

ABC7D9 (6)

Weight, g/mol:

606.316583

ΔHf, kcal/mol:

-230.68

Dipole, Da:

3.59

IP(EA), eV:

 -8.62(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC(=C5)C)C

DOS

IR

Vibrations