Geometry & MOs

Info

ID:

111808

PubChem CID:

50381924

Reduced:

N5O5C35H47 (1)

Stoich.:

A5B5C35D47 (1)

Weight, g/mol:

603.34207

ΔHf, kcal/mol:

-202.42

Dipole, Da:

12.45

IP(EA), eV:

 -8.48(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCC5

DOS

IR

Vibrations