Geometry & MOs

Info

ID:

109726

PubChem CID:

50295458

Reduced:

N6O6C37H46 (1)

Stoich.:

A6B6C37D46 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-222.01

Dipole, Da:

4.0

IP(EA), eV:

 -8.36(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(cyclohexanecarbonylamino)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)C(=O)NC(C)C

DOS

IR

Vibrations